N-[[(1S)-1-hydroxy-3,3-dimethylcyclohexyl]methyl]cyclobutanecarboxamide

C14H25NO2 — CID 100650712

IUPACN-[[(1S)-1-hydroxy-3,3-dimethylcyclohexyl]methyl]cyclobutanecarboxamide
SMILESCC1(C)CCC[C@@](O)(CNC(=O)C2CCC2)C1
InChIInChI=1S/C14H25NO2/c1-13(2)7-4-8-14(17,9-13)10-15-12(16)11-5-3-6-11/h11,17H,3-10H2,1-2H3,(H,15,16)/t14-/m0/s1
InChIKeyNXWAZPKEWQTWKF-AWEZNQCLSA-N
MW239.36 g/mol
LogP2.23
Rot. Bonds3

About N-[[(1S)-1-hydroxy-3,3-dimethylcyclohexyl]methyl]cyclobutanecarboxamide

N-[[(1S)-1-hydroxy-3,3-dimethylcyclohexyl]methyl]cyclobutanecarboxamide (PubChem CID 100650712) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[[(1S)-1-hydroxy-3,3-dimethylcyclohexyl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[(1S)-1-hydroxy-3,3-dimethylcyclohexyl]methyl]cyclobutanecarboxamide
PubChem CID100650712
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[[(1S)-1-hydroxy-3,3-dimethylcyclohexyl]methyl]cyclobutanecarboxamide
SMILESCC1(C)CCC[C@@](O)(CNC(=O)C2CCC2)C1
InChIInChI=1S/C14H25NO2/c1-13(2)7-4-8-14(17,9-13)10-15-12(16)11-5-3-6-11/h11,17H,3-10H2,1-2H3,(H,15,16)/t14-/m0/s1
InChIKeyNXWAZPKEWQTWKF-AWEZNQCLSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
N-[(1-methylcyclopropyl)methyl]cyclobutanecarboxamide
CID 127018359
N-[(1-hydroxycyclopentyl)methyl]-4-methylcyclohexane-1-carboxamide
CID 79005811
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 65121763
(3R)-N-[(1-hydroxycyclobutyl)methyl]piperidine-3-carboxamide
CID 104874196
(3R)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]piperidine-3-carboxamide
CID 81133718
N-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide
CID 65119591
N-[3-[(1-hydroxycyclobutyl)methylamino]-3-oxopropyl]cyclohexanecarboxamide
CID 111445220
N-[(4-methylpiperidin-4-yl)methyl]cycloheptanecarboxamide
CID 91660383
N-[(1-methylcyclopropyl)methyl]cyclopropanecarboxamide
CID 103722140
N-[[1-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide
CID 115456256
N-[(1-aminocyclopentyl)methyl]cyclobutanecarboxamide
CID 164661339

Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-1-hydroxy-3,3-dimethylcyclohexyl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[(1S)-1-hydroxy-3,3-dimethylcyclohexyl]methyl]cyclobutanecarboxamide (CID 100650712) is N-[[(1S)-1-hydroxy-3,3-dimethylcyclohexyl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[(1S)-1-hydroxy-3,3-dimethylcyclohexyl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[(1S)-1-hydroxy-3,3-dimethylcyclohexyl]methyl]cyclobutanecarboxamide is CC1(C)CCC[C@@](O)(CNC(=O)C2CCC2)C1.
What is the InChIKey of N-[[(1S)-1-hydroxy-3,3-dimethylcyclohexyl]methyl]cyclobutanecarboxamide?
The InChIKey is NXWAZPKEWQTWKF-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H25NO2/c1-13(2)7-4-8-14(17,9-13)10-15-12(16)11-5-3-6-11/h11,17H,3-10H2,1-2H3,(H,15,16)/t14-/m0/s1.
What are the key properties of N-[[(1S)-1-hydroxy-3,3-dimethylcyclohexyl]methyl]cyclobutanecarboxamide?
N-[[(1S)-1-hydroxy-3,3-dimethylcyclohexyl]methyl]cyclobutanecarboxamide has a molecular weight of 239.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-1-hydroxy-3,3-dimethylcyclohexyl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 100650712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).