N-[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-[[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,5-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylhexanamide

C42H71N5O7 — CID 157319293

IUPACN-[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-[[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,5-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylhexanamide
SMILESCCCNC(=O)C(Cc1ccccc1)NC(=O)C(C)C(OC)C1CCCN1C(=O)CC(OC)C(C(C)CC)N(C)C(=O)C(CC(=O)C(C)(C)NC)C(C)C
InChIInChI=1S/C42H71N5O7/c1-13-22-44-40(51)32(24-30-19-16-15-17-20-30)45-39(50)29(6)38(54-12)33-21-18-23-47(33)36(49)26-34(53-11)37(28(5)14-2)46(10)41(52)31(27(3)4)25-35(48)42(7,8)43-9/h15-17,19-20,27-29,31-34,37-38,43H,13-14,18,21-26H2,1-12H3,(H,44,51)(H,45,50)
InChIKeyWWEWKHPWPKBRHJ-UHFFFAOYSA-N
MW758.06 g/mol
LogP4.39
Rot. Bonds23

About N-[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-[[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,5-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylhexanamide

N-[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-[[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,5-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylhexanamide (PubChem CID 157319293) has the molecular formula C42H71N5O7 and a molecular weight of 758.06 g/mol. Its IUPAC name is N-[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-[[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,5-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylhexanamide.

Molecular Properties

Compound NameN-[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-[[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,5-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylhexanamide
PubChem CID157319293
Molecular FormulaC42H71N5O7
Molecular Weight758.06 g/mol
Exact Mass757.54
IUPAC NameN-[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-[[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,5-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylhexanamide
SMILESCCCNC(=O)C(Cc1ccccc1)NC(=O)C(C)C(OC)C1CCCN1C(=O)CC(OC)C(C(C)CC)N(C)C(=O)C(CC(=O)C(C)(C)NC)C(C)C
InChIInChI=1S/C42H71N5O7/c1-13-22-44-40(51)32(24-30-19-16-15-17-20-30)45-39(50)29(6)38(54-12)33-21-18-23-47(33)36(49)26-34(53-11)37(28(5)14-2)46(10)41(52)31(27(3)4)25-35(48)42(7,8)43-9/h15-17,19-20,27-29,31-34,37-38,43H,13-14,18,21-26H2,1-12H3,(H,44,51)(H,45,50)
InChIKeyWWEWKHPWPKBRHJ-UHFFFAOYSA-N
XLogP4.39
TPSA146.38 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms54
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500758.06
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-[[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,5-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-6-(tert-butylamino)-1-methoxy-2-methyl-3,6-dioxohexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,5-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylhexanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(diethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,5-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylhexanamide;(2S)-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-(propylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,5-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylhexanamide;tris(2,2,2-trifluoroacetic acid)
CID 159300042
(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-5-(dimethylamino)-5-methyl-4-oxo-2-propan-2-ylhexanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid
CID 160522949
(2R,3R)-3-methoxy-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methyl-N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]propanamide
CID 134549106
methyl 2-[[3-[1-[4-[[5-(dimethylamino)-5-methyl-4-oxo-2-propan-2-ylhexanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate
CID 158859175
(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,5-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylhexanamide
CID 158567138
(2S,5R,6R)-2-benzyl-6-methoxy-6-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-5-methyl-5-(methylamino)-4-oxo-2-propan-2-ylhexanoyl]amino]heptanoyl]pyrrolidin-2-yl]-5-methyl-4-oxohexanoic acid
CID 159212800
(2S)-2-[[(2R,3R)-3-methoxy-3-[(2S)-1-[(3R,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]-3-phenylpropanoic acid
CID 56841603
(2S)-2-[[(2R,3R)-3-methoxy-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]-3-phenylpropanoic acid
CID 170065065
(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-[2-[2-[2-(tert-butylamino)oxyethoxy]ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,3-dimethylbutanamide
CID 155639821
2-[[(2R,3R)-3-[(2S)-1-[(3R,4S)-4-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid
CID 174245038
2-[[(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoyl]amino]ethanesulfonic acid
CID 87277112
methyl (2S)-2-[[(2R,3R)-3-methoxy-3-[(2S)-1-[(3R)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]-3-phenylpropanoate
CID 166697471

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-[[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,5-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylhexanamide?
The IUPAC name of N-[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-[[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,5-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylhexanamide (CID 157319293) is N-[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-[[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,5-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylhexanamide.
What is the SMILES notation for N-[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-[[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,5-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylhexanamide?
The canonical SMILES for N-[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-[[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,5-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylhexanamide is CCCNC(=O)C(Cc1ccccc1)NC(=O)C(C)C(OC)C1CCCN1C(=O)CC(OC)C(C(C)CC)N(C)C(=O)C(CC(=O)C(C)(C)NC)C(C)C.
What is the InChIKey of N-[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-[[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,5-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylhexanamide?
The InChIKey is WWEWKHPWPKBRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H71N5O7/c1-13-22-44-40(51)32(24-30-19-16-15-17-20-30)45-39(50)29(6)38(54-12)33-21-18-23-47(33)36(49)26-34(53-11)37(28(5)14-2)46(10)41(52)31(27(3)4)25-35(48)42(7,8)43-9/h15-17,19-20,27-29,31-34,37-38,43H,13-14,18,21-26H2,1-12H3,(H,44,51)(H,45,50).
What are the key properties of N-[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-[[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,5-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylhexanamide?
N-[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-[[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,5-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylhexanamide has a molecular weight of 758.06 g/mol, XLogP of 4.39, 23 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-[[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,5-dimethyl-5-(methylamino)-4-oxo-2-propan-2-ylhexanamide is sourced from PubChem (CID 157319293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).