6-acetamido-N-[(1-hydroxy-4-methylcyclohexyl)methyl]hexanamide

C16H30N2O3 — CID 65120066

IUPAC6-acetamido-N-[(1-hydroxy-4-methylcyclohexyl)methyl]hexanamide
SMILESCC(=O)NCCCCCC(=O)NCC1(O)CCC(C)CC1
InChIInChI=1S/C16H30N2O3/c1-13-7-9-16(21,10-8-13)12-18-15(20)6-4-3-5-11-17-14(2)19/h13,21H,3-12H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyHTCGLIYLFIPMPG-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.74
Rot. Bonds8

About 6-acetamido-N-[(1-hydroxy-4-methylcyclohexyl)methyl]hexanamide

6-acetamido-N-[(1-hydroxy-4-methylcyclohexyl)methyl]hexanamide (PubChem CID 65120066) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-acetamido-N-[(1-hydroxy-4-methylcyclohexyl)methyl]hexanamide.

Molecular Properties

Compound Name6-acetamido-N-[(1-hydroxy-4-methylcyclohexyl)methyl]hexanamide
PubChem CID65120066
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name6-acetamido-N-[(1-hydroxy-4-methylcyclohexyl)methyl]hexanamide
SMILESCC(=O)NCCCCCC(=O)NCC1(O)CCC(C)CC1
InChIInChI=1S/C16H30N2O3/c1-13-7-9-16(21,10-8-13)12-18-15(20)6-4-3-5-11-17-14(2)19/h13,21H,3-12H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyHTCGLIYLFIPMPG-UHFFFAOYSA-N
XLogP1.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
CID 65120168
3-(cyclopropylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide
CID 65120119
4-cyclohexyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]butanamide
CID 65120285
1-[(6-acetamidohexanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81361686
3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide
CID 65119498
(1-hydroxy-4-methylcyclohexyl)methylurea
CID 65121718
6-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylhexanamide
CID 65120023
2-cyclobutyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 103164693
N-[(1-hydroxycyclobutyl)methyl]nonanamide
CID 115668880
2-(cyclopropylmethylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65119831
N-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide
CID 65119591
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide
CID 65118984

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-[(1-hydroxy-4-methylcyclohexyl)methyl]hexanamide?
The IUPAC name of 6-acetamido-N-[(1-hydroxy-4-methylcyclohexyl)methyl]hexanamide (CID 65120066) is 6-acetamido-N-[(1-hydroxy-4-methylcyclohexyl)methyl]hexanamide.
What is the SMILES notation for 6-acetamido-N-[(1-hydroxy-4-methylcyclohexyl)methyl]hexanamide?
The canonical SMILES for 6-acetamido-N-[(1-hydroxy-4-methylcyclohexyl)methyl]hexanamide is CC(=O)NCCCCCC(=O)NCC1(O)CCC(C)CC1.
What is the InChIKey of 6-acetamido-N-[(1-hydroxy-4-methylcyclohexyl)methyl]hexanamide?
The InChIKey is HTCGLIYLFIPMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-13-7-9-16(21,10-8-13)12-18-15(20)6-4-3-5-11-17-14(2)19/h13,21H,3-12H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 6-acetamido-N-[(1-hydroxy-4-methylcyclohexyl)methyl]hexanamide?
6-acetamido-N-[(1-hydroxy-4-methylcyclohexyl)methyl]hexanamide has a molecular weight of 298.43 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-[(1-hydroxy-4-methylcyclohexyl)methyl]hexanamide is sourced from PubChem (CID 65120066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).