N-[2-[[(5S)-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide

C26H50N4O4 — CID 155398977

IUPACN-[2-[[(5S)-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
SMILESCC[C@H](C)C(CCC(=O)N1CCCC1C(OC)C(C)C)N(C)C(=O)CNC(=O)C(NC)C(C)C
InChIInChI=1S/C26H50N4O4/c1-10-19(6)20(29(8)23(32)16-28-26(33)24(27-7)17(2)3)13-14-22(31)30-15-11-12-21(30)25(34-9)18(4)5/h17-21,24-25,27H,10-16H2,1-9H3,(H,28,33)/t19-,20?,21?,24?,25?/m0/s1
InChIKeyHVJFHZRXMNBEIL-SCFWZHSBSA-N
MW482.71 g/mol
LogP2.66
Rot. Bonds14

About N-[2-[[(5S)-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide

N-[2-[[(5S)-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide (PubChem CID 155398977) has the molecular formula C26H50N4O4 and a molecular weight of 482.71 g/mol. Its IUPAC name is N-[2-[[(5S)-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-[[(5S)-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
PubChem CID155398977
Molecular FormulaC26H50N4O4
Molecular Weight482.71 g/mol
Exact Mass482.38
IUPAC NameN-[2-[[(5S)-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
SMILESCC[C@H](C)C(CCC(=O)N1CCCC1C(OC)C(C)C)N(C)C(=O)CNC(=O)C(NC)C(C)C
InChIInChI=1S/C26H50N4O4/c1-10-19(6)20(29(8)23(32)16-28-26(33)24(27-7)17(2)3)13-14-22(31)30-15-11-12-21(30)25(34-9)18(4)5/h17-21,24-25,27H,10-16H2,1-9H3,(H,28,33)/t19-,20?,21?,24?,25?/m0/s1
InChIKeyHVJFHZRXMNBEIL-SCFWZHSBSA-N
XLogP2.66
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.71
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[(5S)-3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-(phenacylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
CID 144592043
N-[(4E)-4-ethenyl-3-hydroxyhepta-4,6-dien-2-yl]formamide;N-[2-[[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;propane
CID 170585938
N-[2-[[3-methoxy-5-methyl-1-[2-(4-methylhex-5-en-3-yl)pyrrolidin-1-yl]-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
CID 167113960
N-(2-hydroxyethyl)-3-[1-[4-[[2-[[3-hydroxy-2-(methylamino)butanoyl]amino]acetyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanamide
CID 170794576
N-[2-[[1-[2-[3-(benzylsulfanylamino)-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;propane
CID 145041783
(4Z)-4-ethenyl-2-[[3-methoxy-3-[1-[3-methoxy-5-methyl-4-[methyl-[2-[[3-methyl-2-(methylamino)butanoyl]amino]acetyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]hepta-4,6-dienoic acid;propan-2-ol
CID 145284942
4-(2-aminoethyl)aniline;N-[2-[[3-methoxy-1-[2-(1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;propane
CID 144590085
2-[[3-methoxy-3-[1-[3-methoxy-5-methyl-4-[methyl-[2-[[3-methyl-2-(methylamino)butanoyl]amino]acetyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]-3-phenylpropanoic acid;propan-1-ol
CID 145284962
2-formamido-N-[(3R,5S)-3-methoxy-1-[(2S)-2-[(1R)-1-methoxy-2-methylpropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide
CID 146429268
3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-4-(methylamino)heptan-1-one
CID 145135263
2-[[3-methoxy-3-[1-[3-methoxy-5-methyl-4-[methyl-[2-[[3-methyl-2-[methyl(propan-2-yl)amino]butanoyl]amino]acetyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]acetic acid
CID 144997635
N-[(4S,5R)-1-[2-[(1S,2S)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-phenylpropan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
CID 155404393

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(5S)-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide?
The IUPAC name of N-[2-[[(5S)-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide (CID 155398977) is N-[2-[[(5S)-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide.
What is the SMILES notation for N-[2-[[(5S)-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide?
The canonical SMILES for N-[2-[[(5S)-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide is CC[C@H](C)C(CCC(=O)N1CCCC1C(OC)C(C)C)N(C)C(=O)CNC(=O)C(NC)C(C)C.
What is the InChIKey of N-[2-[[(5S)-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide?
The InChIKey is HVJFHZRXMNBEIL-SCFWZHSBSA-N. The full InChI is InChI=1S/C26H50N4O4/c1-10-19(6)20(29(8)23(32)16-28-26(33)24(27-7)17(2)3)13-14-22(31)30-15-11-12-21(30)25(34-9)18(4)5/h17-21,24-25,27H,10-16H2,1-9H3,(H,28,33)/t19-,20?,21?,24?,25?/m0/s1.
What are the key properties of N-[2-[[(5S)-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide?
N-[2-[[(5S)-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide has a molecular weight of 482.71 g/mol, XLogP of 2.66, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(5S)-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide is sourced from PubChem (CID 155398977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).