N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide

C12H23NO2 — CID 110292524

IUPACN-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
SMILESCCCC(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C12H23NO2/c1-2-6-11(15)13-9-12(10-14)7-4-3-5-8-12/h14H,2-10H2,1H3,(H,13,15)
InChIKeyZJWXARIDFKZIFV-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.85
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide

N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide (PubChem CID 110292524) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
PubChem CID110292524
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
SMILESCCCC(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C12H23NO2/c1-2-6-11(15)13-9-12(10-14)7-4-3-5-8-12/h14H,2-10H2,1H3,(H,13,15)
InChIKeyZJWXARIDFKZIFV-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide
CID 171523205
4-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966037
N-[[4-[(butanoylamino)methyl]oxan-4-yl]methyl]butanamide
CID 122140485
5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 103966027
2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699630
2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699817
butanoic acid;[1-(hydroxymethyl)cyclohexyl]methanol
CID 67588053
N-[[1-(chloromethyl)cyclopropyl]methyl]butanamide
CID 115456097
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxypentanamide
CID 113382189
1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362512
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]hexanamide
CID 82853951
3-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966735

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide (CID 110292524) is N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide is CCCC(=O)NCC1(CO)CCCCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide?
The InChIKey is ZJWXARIDFKZIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-6-11(15)13-9-12(10-14)7-4-3-5-8-12/h14H,2-10H2,1H3,(H,13,15).
What are the key properties of N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide?
N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide has a molecular weight of 213.32 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide is sourced from PubChem (CID 110292524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).