2-acetamido-3-[acetyl(cyclohexylmethyl)amino]-N-methylbutanamide

C16H29N3O3 — CID 174328879

IUPAC2-acetamido-3-[acetyl(cyclohexylmethyl)amino]-N-methylbutanamide
SMILESCNC(=O)C(NC(C)=O)C(C)N(CC1CCCCC1)C(C)=O
InChIInChI=1S/C16H29N3O3/c1-11(15(16(22)17-4)18-12(2)20)19(13(3)21)10-14-8-6-5-7-9-14/h11,14-15H,5-10H2,1-4H3,(H,17,22)(H,18,20)
InChIKeyJSAHCLLTYJVMRY-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.05
Rot. Bonds6

About 2-acetamido-3-[acetyl(cyclohexylmethyl)amino]-N-methylbutanamide

2-acetamido-3-[acetyl(cyclohexylmethyl)amino]-N-methylbutanamide (PubChem CID 174328879) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-acetamido-3-[acetyl(cyclohexylmethyl)amino]-N-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-3-[acetyl(cyclohexylmethyl)amino]-N-methylbutanamide
PubChem CID174328879
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name2-acetamido-3-[acetyl(cyclohexylmethyl)amino]-N-methylbutanamide
SMILESCNC(=O)C(NC(C)=O)C(C)N(CC1CCCCC1)C(C)=O
InChIInChI=1S/C16H29N3O3/c1-11(15(16(22)17-4)18-12(2)20)19(13(3)21)10-14-8-6-5-7-9-14/h11,14-15H,5-10H2,1-4H3,(H,17,22)(H,18,20)
InChIKeyJSAHCLLTYJVMRY-UHFFFAOYSA-N
XLogP1.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(cyclohexylmethyl)amino]-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171594058
2-acetamido-3-(cyclopentylmethoxy)-N-methylbutanamide
CID 164605032
2-acetamido-3-(2-cyclohexylethoxy)-N-methylbutanamide
CID 164604698
N-(cyclohexylmethyl)-2-methoxy-N-methylpropanamide
CID 112685953
3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171593836
1-[cyclohexylmethyl(methyl)amino]-3-methylbutan-2-one
CID 79395083
(3S)-3-[cyclopentylmethyl(methyl)amino]-N-methylbutanamide
CID 95121560
2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide
CID 55212497
N-(cyclobutylmethyl)-N-cyclohexylacetamide
CID 91799072
2-acetamido-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide
CID 174329363
2-acetamido-2-[1-(cyclohexylmethoxy)cyclopropyl]-N-methylacetamide
CID 164604521
3-(cyclopentylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171594077

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[acetyl(cyclohexylmethyl)amino]-N-methylbutanamide?
The IUPAC name of 2-acetamido-3-[acetyl(cyclohexylmethyl)amino]-N-methylbutanamide (CID 174328879) is 2-acetamido-3-[acetyl(cyclohexylmethyl)amino]-N-methylbutanamide.
What is the SMILES notation for 2-acetamido-3-[acetyl(cyclohexylmethyl)amino]-N-methylbutanamide?
The canonical SMILES for 2-acetamido-3-[acetyl(cyclohexylmethyl)amino]-N-methylbutanamide is CNC(=O)C(NC(C)=O)C(C)N(CC1CCCCC1)C(C)=O.
What is the InChIKey of 2-acetamido-3-[acetyl(cyclohexylmethyl)amino]-N-methylbutanamide?
The InChIKey is JSAHCLLTYJVMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-11(15(16(22)17-4)18-12(2)20)19(13(3)21)10-14-8-6-5-7-9-14/h11,14-15H,5-10H2,1-4H3,(H,17,22)(H,18,20).
What are the key properties of 2-acetamido-3-[acetyl(cyclohexylmethyl)amino]-N-methylbutanamide?
2-acetamido-3-[acetyl(cyclohexylmethyl)amino]-N-methylbutanamide has a molecular weight of 311.43 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[acetyl(cyclohexylmethyl)amino]-N-methylbutanamide is sourced from PubChem (CID 174328879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).