2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide

C15H28N2O3 — CID 65123618

IUPAC2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NCC1(O)CCCC(C)C1)C(C)C
InChIInChI=1S/C15H28N2O3/c1-10(2)13(17-12(4)18)14(19)16-9-15(20)7-5-6-11(3)8-15/h10-11,13,20H,5-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyWAFMQTWZIOLTDG-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.20
Rot. Bonds5

About 2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide

2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide (PubChem CID 65123618) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
PubChem CID65123618
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NCC1(O)CCCC(C)C1)C(C)C
InChIInChI=1S/C15H28N2O3/c1-10(2)13(17-12(4)18)14(19)16-9-15(20)7-5-6-11(3)8-15/h10-11,13,20H,5-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyWAFMQTWZIOLTDG-UHFFFAOYSA-N
XLogP1.20
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 103513938
4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498634
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide
CID 112695770
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480
(2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide
CID 79022986
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide
CID 65119904
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide
CID 81102329
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide
CID 65123948
N-carbamoyl-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]propanamide
CID 65120634
4-amino-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-5-oxopentanoic acid
CID 65119668

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide (CID 65123618) is 2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide is CC(=O)NC(C(=O)NCC1(O)CCCC(C)C1)C(C)C.
What is the InChIKey of 2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide?
The InChIKey is WAFMQTWZIOLTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10(2)13(17-12(4)18)14(19)16-9-15(20)7-5-6-11(3)8-15/h10-11,13,20H,5-9H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide?
2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide has a molecular weight of 284.40 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 65123618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).