(3S)-3-(acetamidomethyl)-N-(1-hydroxy-4-methoxybutan-2-yl)-5-methylhexanamide

C15H30N2O4 — CID 138044918

IUPAC(3S)-3-(acetamidomethyl)-N-(1-hydroxy-4-methoxybutan-2-yl)-5-methylhexanamide
SMILESCOCCC(CO)NC(=O)C[C@@H](CNC(C)=O)CC(C)C
InChIInChI=1S/C15H30N2O4/c1-11(2)7-13(9-16-12(3)19)8-15(20)17-14(10-18)5-6-21-4/h11,13-14,18H,5-10H2,1-4H3,(H,16,19)(H,17,20)/t13-,14?/m0/s1
InChIKeyBVIGMOGNFOJMAN-LSLKUGRBSA-N
MW302.42 g/mol
LogP0.69
Rot. Bonds11

About (3S)-3-(acetamidomethyl)-N-(1-hydroxy-4-methoxybutan-2-yl)-5-methylhexanamide

(3S)-3-(acetamidomethyl)-N-(1-hydroxy-4-methoxybutan-2-yl)-5-methylhexanamide (PubChem CID 138044918) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is (3S)-3-(acetamidomethyl)-N-(1-hydroxy-4-methoxybutan-2-yl)-5-methylhexanamide.

Molecular Properties

Compound Name(3S)-3-(acetamidomethyl)-N-(1-hydroxy-4-methoxybutan-2-yl)-5-methylhexanamide
PubChem CID138044918
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Name(3S)-3-(acetamidomethyl)-N-(1-hydroxy-4-methoxybutan-2-yl)-5-methylhexanamide
SMILESCOCCC(CO)NC(=O)C[C@@H](CNC(C)=O)CC(C)C
InChIInChI=1S/C15H30N2O4/c1-11(2)7-13(9-16-12(3)19)8-15(20)17-14(10-18)5-6-21-4/h11,13-14,18H,5-10H2,1-4H3,(H,16,19)(H,17,20)/t13-,14?/m0/s1
InChIKeyBVIGMOGNFOJMAN-LSLKUGRBSA-N
XLogP0.69
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(acetamidomethyl)-N-(1-hydroxy-4-methoxybutan-2-yl)-5-methylhexanamide?
The IUPAC name of (3S)-3-(acetamidomethyl)-N-(1-hydroxy-4-methoxybutan-2-yl)-5-methylhexanamide (CID 138044918) is (3S)-3-(acetamidomethyl)-N-(1-hydroxy-4-methoxybutan-2-yl)-5-methylhexanamide.
What is the SMILES notation for (3S)-3-(acetamidomethyl)-N-(1-hydroxy-4-methoxybutan-2-yl)-5-methylhexanamide?
The canonical SMILES for (3S)-3-(acetamidomethyl)-N-(1-hydroxy-4-methoxybutan-2-yl)-5-methylhexanamide is COCCC(CO)NC(=O)C[C@@H](CNC(C)=O)CC(C)C.
What is the InChIKey of (3S)-3-(acetamidomethyl)-N-(1-hydroxy-4-methoxybutan-2-yl)-5-methylhexanamide?
The InChIKey is BVIGMOGNFOJMAN-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-11(2)7-13(9-16-12(3)19)8-15(20)17-14(10-18)5-6-21-4/h11,13-14,18H,5-10H2,1-4H3,(H,16,19)(H,17,20)/t13-,14?/m0/s1.
What are the key properties of (3S)-3-(acetamidomethyl)-N-(1-hydroxy-4-methoxybutan-2-yl)-5-methylhexanamide?
(3S)-3-(acetamidomethyl)-N-(1-hydroxy-4-methoxybutan-2-yl)-5-methylhexanamide has a molecular weight of 302.42 g/mol, XLogP of 0.69, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(acetamidomethyl)-N-(1-hydroxy-4-methoxybutan-2-yl)-5-methylhexanamide is sourced from PubChem (CID 138044918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).