3-[acetyl(cyclohexylmethyl)amino]-N-methyl-2-(2-methylpropanoylamino)butanamide

C18H33N3O3 — CID 171594058

IUPAC3-[acetyl(cyclohexylmethyl)amino]-N-methyl-2-(2-methylpropanoylamino)butanamide
SMILESCNC(=O)C(NC(=O)C(C)C)C(C)N(CC1CCCCC1)C(C)=O
InChIInChI=1S/C18H33N3O3/c1-12(2)17(23)20-16(18(24)19-5)13(3)21(14(4)22)11-15-9-7-6-8-10-15/h12-13,15-16H,6-11H2,1-5H3,(H,19,24)(H,20,23)
InChIKeyRZVUHRAMYHSHAN-UHFFFAOYSA-N
MW339.48 g/mol
LogP1.69
Rot. Bonds7

About 3-[acetyl(cyclohexylmethyl)amino]-N-methyl-2-(2-methylpropanoylamino)butanamide

3-[acetyl(cyclohexylmethyl)amino]-N-methyl-2-(2-methylpropanoylamino)butanamide (PubChem CID 171594058) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 3-[acetyl(cyclohexylmethyl)amino]-N-methyl-2-(2-methylpropanoylamino)butanamide.

Molecular Properties

Compound Name3-[acetyl(cyclohexylmethyl)amino]-N-methyl-2-(2-methylpropanoylamino)butanamide
PubChem CID171594058
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name3-[acetyl(cyclohexylmethyl)amino]-N-methyl-2-(2-methylpropanoylamino)butanamide
SMILESCNC(=O)C(NC(=O)C(C)C)C(C)N(CC1CCCCC1)C(C)=O
InChIInChI=1S/C18H33N3O3/c1-12(2)17(23)20-16(18(24)19-5)13(3)21(14(4)22)11-15-9-7-6-8-10-15/h12-13,15-16H,6-11H2,1-5H3,(H,19,24)(H,20,23)
InChIKeyRZVUHRAMYHSHAN-UHFFFAOYSA-N
XLogP1.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-[acetyl(cyclohexylmethyl)amino]-N-methylbutanamide
CID 174328879
3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171593836
3-(cyclopentylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171594077
1-[cyclohexylmethyl(methyl)amino]-3-methylbutan-2-one
CID 79395083
N-methyl-2-(2-methylpropanoylamino)-3-(2-methylpropoxy)butanamide
CID 171593775
2-acetamido-3-(2-cyclohexylethoxy)-N-methylbutanamide
CID 164604698
2-acetamido-3-(cyclopentylmethoxy)-N-methylbutanamide
CID 164605032
N-[[cyclohexylmethyl(ethyl)amino]methyl]-2-methylpropanamide
CID 70948025
(3S)-3-[cyclopentylmethyl(methyl)amino]-N-methylbutanamide
CID 95121560
2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide
CID 55212497
N-(cyclobutylmethyl)-N-cyclohexylacetamide
CID 91799072
2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 51103870

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cyclohexylmethyl)amino]-N-methyl-2-(2-methylpropanoylamino)butanamide?
The IUPAC name of 3-[acetyl(cyclohexylmethyl)amino]-N-methyl-2-(2-methylpropanoylamino)butanamide (CID 171594058) is 3-[acetyl(cyclohexylmethyl)amino]-N-methyl-2-(2-methylpropanoylamino)butanamide.
What is the SMILES notation for 3-[acetyl(cyclohexylmethyl)amino]-N-methyl-2-(2-methylpropanoylamino)butanamide?
The canonical SMILES for 3-[acetyl(cyclohexylmethyl)amino]-N-methyl-2-(2-methylpropanoylamino)butanamide is CNC(=O)C(NC(=O)C(C)C)C(C)N(CC1CCCCC1)C(C)=O.
What is the InChIKey of 3-[acetyl(cyclohexylmethyl)amino]-N-methyl-2-(2-methylpropanoylamino)butanamide?
The InChIKey is RZVUHRAMYHSHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-12(2)17(23)20-16(18(24)19-5)13(3)21(14(4)22)11-15-9-7-6-8-10-15/h12-13,15-16H,6-11H2,1-5H3,(H,19,24)(H,20,23).
What are the key properties of 3-[acetyl(cyclohexylmethyl)amino]-N-methyl-2-(2-methylpropanoylamino)butanamide?
3-[acetyl(cyclohexylmethyl)amino]-N-methyl-2-(2-methylpropanoylamino)butanamide has a molecular weight of 339.48 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(cyclohexylmethyl)amino]-N-methyl-2-(2-methylpropanoylamino)butanamide is sourced from PubChem (CID 171594058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).