ethane;(2S)-N-[(2R)-3-oxobutan-2-yl]-2-(pent-1-en-2-ylamino)propanamide;propane;N,2,4-trimethyl-N-[4-methyl-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pent-1-en-3-yl]pentanamide

C37H77N5O4 — CID 157046633

IUPACethane;(2S)-N-[(2R)-3-oxobutan-2-yl]-2-(pent-1-en-2-ylamino)propanamide;propane;N,2,4-trimethyl-N-[4-methyl-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pent-1-en-3-yl]pentanamide
SMILESC=C(C(C(C)C)N(C)C(=O)C(C)CC(C)C)N(C)CC(=O)NC.C=C(CCC)N[C@@H](C)C(=O)N[C@H](C)C(C)=O.CC.CC.CCC
InChIInChI=1S/C18H35N3O2.C12H22N2O2.C3H8.2C2H6/c1-12(2)10-14(5)18(23)21(9)17(13(3)4)15(6)20(8)11-16(22)19-7;1-6-7-8(2)13-10(4)12(16)14-9(3)11(5)15;1-3-2;2*1-2/h12-14,17H,6,10-11H2,1-5,7-9H3,(H,19,22);9-10,13H,2,6-7H2,1,3-5H3,(H,14,16);3H2,1-2H3;2*1-2H3/t;9-,10+;;;/m.1.../s1
InChIKeyQPYMDMTZMSHITA-AYGLLDPKSA-N
MW656.05 g/mol
LogP7.18
Rot. Bonds16

About ethane;(2S)-N-[(2R)-3-oxobutan-2-yl]-2-(pent-1-en-2-ylamino)propanamide;propane;N,2,4-trimethyl-N-[4-methyl-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pent-1-en-3-yl]pentanamide

ethane;(2S)-N-[(2R)-3-oxobutan-2-yl]-2-(pent-1-en-2-ylamino)propanamide;propane;N,2,4-trimethyl-N-[4-methyl-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pent-1-en-3-yl]pentanamide (PubChem CID 157046633) has the molecular formula C37H77N5O4 and a molecular weight of 656.05 g/mol. Its IUPAC name is ethane;(2S)-N-[(2R)-3-oxobutan-2-yl]-2-(pent-1-en-2-ylamino)propanamide;propane;N,2,4-trimethyl-N-[4-methyl-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pent-1-en-3-yl]pentanamide.

Molecular Properties

Compound Nameethane;(2S)-N-[(2R)-3-oxobutan-2-yl]-2-(pent-1-en-2-ylamino)propanamide;propane;N,2,4-trimethyl-N-[4-methyl-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pent-1-en-3-yl]pentanamide
PubChem CID157046633
Molecular FormulaC37H77N5O4
Molecular Weight656.05 g/mol
Exact Mass655.60
IUPAC Nameethane;(2S)-N-[(2R)-3-oxobutan-2-yl]-2-(pent-1-en-2-ylamino)propanamide;propane;N,2,4-trimethyl-N-[4-methyl-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pent-1-en-3-yl]pentanamide
SMILESC=C(C(C(C)C)N(C)C(=O)C(C)CC(C)C)N(C)CC(=O)NC.C=C(CCC)N[C@@H](C)C(=O)N[C@H](C)C(C)=O.CC.CC.CCC
InChIInChI=1S/C18H35N3O2.C12H22N2O2.C3H8.2C2H6/c1-12(2)10-14(5)18(23)21(9)17(13(3)4)15(6)20(8)11-16(22)19-7;1-6-7-8(2)13-10(4)12(16)14-9(3)11(5)15;1-3-2;2*1-2/h12-14,17H,6,10-11H2,1-5,7-9H3,(H,19,22);9-10,13H,2,6-7H2,1,3-5H3,(H,14,16);3H2,1-2H3;2*1-2H3/t;9-,10+;;;/m.1.../s1
InChIKeyQPYMDMTZMSHITA-AYGLLDPKSA-N
XLogP7.18
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.05
LogP ≤ 57.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethane;(2S)-N-[(2R)-3-oxobutan-2-yl]-2-(pent-1-en-2-ylamino)propanamide;propane;N,2,4-trimethyl-N-[4-methyl-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pent-1-en-3-yl]pentanamide 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)-2-amino-4-methyl-N-[(2S)-1-[[(E)-oct-4-en-4-yl]amino]-1-oxopropan-2-yl]pentanamide
CID 24755409
2-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-N-(2-oxopropyl)acetamide
CID 89028843
N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-2-oxo-3-(prop-1-en-2-ylamino)hexanamide
CID 89245085
(2S)-2-amino-4-methyl-N-[(2S)-1-(oct-4-en-4-ylamino)-1-oxopropan-2-yl]pentanamide
CID 91579511
(2R)-2,4-dimethyl-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]-prop-2-enylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pent-4-enamide
CID 117758661
butanoyl-N(Me)Dha-N(Me)xiIle-Val-NHMe
CID 118889770
2-[[2-[[3-[acetyl(methyl)amino]-3,5-dimethylhex-1-en-2-yl]amino]-3-methylbutanoyl]-methylamino]-4-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pentanamide
CID 122466777
butanoyl-N(Me)Dha-N(Me)Leu-Val-N(Me)Leu-NH2
CID 122597783
(2S)-2-[[(2R)-2-[[(3S)-3-[[(2S)-2-[[(3S)-3,4-dimethylpent-1-en-2-yl]-methylamino]propanoyl]amino]but-1-en-2-yl]amino]propanoyl]-methylamino]-N,4-dimethyl-N-[(3S)-5-methyl-2-oxohexan-3-yl]pentanamide
CID 132215301
N-[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[acetyl-[(2S)-2-[[2-[acetyl-[(2S)-2-aminopropyl]amino]acetyl]amino]propyl]amino]acetyl]amino]-4-methyl-3-methylidenepentyl]-(4-aminobutanoyl)amino]acetyl]amino]-4-methyl-3-methylidenepentyl]-(4-aminobutanoyl)amino]acetyl]amino]-4-methyl-3-methylidenepentyl]-4-amino-N-(2-amino-2-oxoethyl)butanamide
CID 138690455
N-[2-[[2-[[2-[[4-(cyclohexylamino)-3,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-4-methylpent-1-en-3-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide;N,N-dimethylacetamide;propane
CID 141910864
6-amino-N-[6-[[4-[butyl-[2-(2-oxopentan-3-ylamino)pent-1-en-3-yl]amino]-1-cyclohexyl-3-oxopent-4-en-2-yl]amino]-5-methyl-6-oxohexyl]-2-methylhexanamide
CID 142189684

Frequently Asked Questions

What is the IUPAC name of ethane;(2S)-N-[(2R)-3-oxobutan-2-yl]-2-(pent-1-en-2-ylamino)propanamide;propane;N,2,4-trimethyl-N-[4-methyl-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pent-1-en-3-yl]pentanamide?
The IUPAC name of ethane;(2S)-N-[(2R)-3-oxobutan-2-yl]-2-(pent-1-en-2-ylamino)propanamide;propane;N,2,4-trimethyl-N-[4-methyl-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pent-1-en-3-yl]pentanamide (CID 157046633) is ethane;(2S)-N-[(2R)-3-oxobutan-2-yl]-2-(pent-1-en-2-ylamino)propanamide;propane;N,2,4-trimethyl-N-[4-methyl-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pent-1-en-3-yl]pentanamide.
What is the SMILES notation for ethane;(2S)-N-[(2R)-3-oxobutan-2-yl]-2-(pent-1-en-2-ylamino)propanamide;propane;N,2,4-trimethyl-N-[4-methyl-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pent-1-en-3-yl]pentanamide?
The canonical SMILES for ethane;(2S)-N-[(2R)-3-oxobutan-2-yl]-2-(pent-1-en-2-ylamino)propanamide;propane;N,2,4-trimethyl-N-[4-methyl-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pent-1-en-3-yl]pentanamide is C=C(C(C(C)C)N(C)C(=O)C(C)CC(C)C)N(C)CC(=O)NC.C=C(CCC)N[C@@H](C)C(=O)N[C@H](C)C(C)=O.CC.CC.CCC.
What is the InChIKey of ethane;(2S)-N-[(2R)-3-oxobutan-2-yl]-2-(pent-1-en-2-ylamino)propanamide;propane;N,2,4-trimethyl-N-[4-methyl-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pent-1-en-3-yl]pentanamide?
The InChIKey is QPYMDMTZMSHITA-AYGLLDPKSA-N. The full InChI is InChI=1S/C18H35N3O2.C12H22N2O2.C3H8.2C2H6/c1-12(2)10-14(5)18(23)21(9)17(13(3)4)15(6)20(8)11-16(22)19-7;1-6-7-8(2)13-10(4)12(16)14-9(3)11(5)15;1-3-2;2*1-2/h12-14,17H,6,10-11H2,1-5,7-9H3,(H,19,22);9-10,13H,2,6-7H2,1,3-5H3,(H,14,16);3H2,1-2H3;2*1-2H3/t;9-,10+;;;/m.1.../s1.
What are the key properties of ethane;(2S)-N-[(2R)-3-oxobutan-2-yl]-2-(pent-1-en-2-ylamino)propanamide;propane;N,2,4-trimethyl-N-[4-methyl-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pent-1-en-3-yl]pentanamide?
ethane;(2S)-N-[(2R)-3-oxobutan-2-yl]-2-(pent-1-en-2-ylamino)propanamide;propane;N,2,4-trimethyl-N-[4-methyl-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pent-1-en-3-yl]pentanamide has a molecular weight of 656.05 g/mol, XLogP of 7.18, 16 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S)-N-[(2R)-3-oxobutan-2-yl]-2-(pent-1-en-2-ylamino)propanamide;propane;N,2,4-trimethyl-N-[4-methyl-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pent-1-en-3-yl]pentanamide is sourced from PubChem (CID 157046633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).