(2S)-2-amino-4-methyl-N-[(2S)-1-[[(E)-oct-4-en-4-yl]amino]-1-oxopropan-2-yl]pentanamide

C17H33N3O2 — CID 24755409

IUPAC(2S)-2-amino-4-methyl-N-[(2S)-1-[[(E)-oct-4-en-4-yl]amino]-1-oxopropan-2-yl]pentanamide
SMILESCCC/C=C(\CCC)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C17H33N3O2/c1-6-8-10-14(9-7-2)20-16(21)13(5)19-17(22)15(18)11-12(3)4/h10,12-13,15H,6-9,11,18H2,1-5H3,(H,19,22)(H,20,21)/b14-10+/t13-,15-/m0/s1
InChIKeyAHTVLCVZMMZQDF-RROHSHQHSA-N
MW311.47 g/mol
LogP2.46
Rot. Bonds10

About (2S)-2-amino-4-methyl-N-[(2S)-1-[[(E)-oct-4-en-4-yl]amino]-1-oxopropan-2-yl]pentanamide

(2S)-2-amino-4-methyl-N-[(2S)-1-[[(E)-oct-4-en-4-yl]amino]-1-oxopropan-2-yl]pentanamide (PubChem CID 24755409) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[(2S)-1-[[(E)-oct-4-en-4-yl]amino]-1-oxopropan-2-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[(2S)-1-[[(E)-oct-4-en-4-yl]amino]-1-oxopropan-2-yl]pentanamide
PubChem CID24755409
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name(2S)-2-amino-4-methyl-N-[(2S)-1-[[(E)-oct-4-en-4-yl]amino]-1-oxopropan-2-yl]pentanamide
SMILESCCC/C=C(\CCC)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C17H33N3O2/c1-6-8-10-14(9-7-2)20-16(21)13(5)19-17(22)15(18)11-12(3)4/h10,12-13,15H,6-9,11,18H2,1-5H3,(H,19,22)(H,20,21)/b14-10+/t13-,15-/m0/s1
InChIKeyAHTVLCVZMMZQDF-RROHSHQHSA-N
XLogP2.46
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-4-methyl-N-[(2S)-1-[[(E)-oct-4-en-4-yl]amino]-1-oxopropan-2-yl]pentanamide with MolForge

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Related Compounds

(2R)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 73352938
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 73356020
methyl N-butyl-N-[1-(cyclohexen-1-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 10662762
(3Z,6S)-3-(3-methylbutylidene)-6-(2-methylpropyl)piperazine-2,5-dione
CID 134870572
methyl N-[1-(cyclohexen-1-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 135002029
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 51127214
2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(3,7-dimethyloct-6-enylamino)hexanamide
CID 23400708
(2S)-2-amino-4-methyl-N-[(E)-oct-4-en-4-yl]pentanamide
CID 24755413
N'-[(3Z,6Z,9Z)-14-(cyclopropylamino)-14-oxotetradeca-3,6,9-trienyl]-N-propyloxamide
CID 53235045
(2S)-N-[(E)-5-acetamidopent-1-enyl]-2-amino-4-methylpentanamide
CID 60006389
(2S)-N-[(E)-8-acetamidooct-1-enyl]-2-amino-4-methylpentanamide
CID 60006438
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(3,7-dimethyloct-6-enylamino)hexanamide
CID 60027733

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[(2S)-1-[[(E)-oct-4-en-4-yl]amino]-1-oxopropan-2-yl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[(2S)-1-[[(E)-oct-4-en-4-yl]amino]-1-oxopropan-2-yl]pentanamide (CID 24755409) is (2S)-2-amino-4-methyl-N-[(2S)-1-[[(E)-oct-4-en-4-yl]amino]-1-oxopropan-2-yl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[(2S)-1-[[(E)-oct-4-en-4-yl]amino]-1-oxopropan-2-yl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[(2S)-1-[[(E)-oct-4-en-4-yl]amino]-1-oxopropan-2-yl]pentanamide is CCC/C=C(\CCC)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[(2S)-1-[[(E)-oct-4-en-4-yl]amino]-1-oxopropan-2-yl]pentanamide?
The InChIKey is AHTVLCVZMMZQDF-RROHSHQHSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-6-8-10-14(9-7-2)20-16(21)13(5)19-17(22)15(18)11-12(3)4/h10,12-13,15H,6-9,11,18H2,1-5H3,(H,19,22)(H,20,21)/b14-10+/t13-,15-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[(2S)-1-[[(E)-oct-4-en-4-yl]amino]-1-oxopropan-2-yl]pentanamide?
(2S)-2-amino-4-methyl-N-[(2S)-1-[[(E)-oct-4-en-4-yl]amino]-1-oxopropan-2-yl]pentanamide has a molecular weight of 311.47 g/mol, XLogP of 2.46, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[(2S)-1-[[(E)-oct-4-en-4-yl]amino]-1-oxopropan-2-yl]pentanamide is sourced from PubChem (CID 24755409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).