N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide

C15H30N2O2 — CID 65120168

IUPACN-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
SMILESCC1CCC(O)(CNC(=O)CCCNC(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-12(2)16-10-4-5-14(18)17-11-15(19)8-6-13(3)7-9-15/h12-13,16,19H,4-11H2,1-3H3,(H,17,18)
InChIKeyNGNSZIWDVXGGCO-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.82
Rot. Bonds7

About N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide (PubChem CID 65120168) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
PubChem CID65120168
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
SMILESCC1CCC(O)(CNC(=O)CCCNC(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-12(2)16-10-4-5-14(18)17-11-15(19)8-6-13(3)7-9-15/h12-13,16,19H,4-11H2,1-3H3,(H,17,18)
InChIKeyNGNSZIWDVXGGCO-UHFFFAOYSA-N
XLogP1.82
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.82
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-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 65119958
6-acetamido-N-[(1-hydroxy-4-methylcyclohexyl)methyl]hexanamide
CID 65120066
4-cyclohexyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]butanamide
CID 65120285
3-(cyclopropylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide
CID 65120119
6-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylhexanamide
CID 65120023
N-[(1-methylcyclopentyl)methyl]-4-(propan-2-ylamino)butanamide
CID 63831409
2-cyclobutyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 103164693
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide
CID 65119708
3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide
CID 65119498
(1-hydroxy-4-methylcyclohexyl)methylurea
CID 65121718
2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid
CID 65116400
4-[(1-hydroxy-4-methylcyclohexyl)methylamino]butanoic acid
CID 65115815

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide (CID 65120168) is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide is CC1CCC(O)(CNC(=O)CCCNC(C)C)CC1.
What is the InChIKey of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide?
The InChIKey is NGNSZIWDVXGGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)16-10-4-5-14(18)17-11-15(19)8-6-13(3)7-9-15/h12-13,16,19H,4-11H2,1-3H3,(H,17,18).
What are the key properties of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide?
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide has a molecular weight of 270.42 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 65120168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).