N-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylbutanamide

C12H23NO2 — CID 62679590

IUPACN-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC1(CO)CCCC1
InChIInChI=1S/C12H23NO2/c1-4-11(2,3)10(15)13-12(9-14)7-5-6-8-12/h14H,4-9H2,1-3H3,(H,13,15)
InChIKeyNYUBJCDKLZZLGZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.84
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylbutanamide

N-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylbutanamide (PubChem CID 62679590) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylbutanamide
PubChem CID62679590
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC1(CO)CCCC1
InChIInChI=1S/C12H23NO2/c1-4-11(2,3)10(15)13-12(9-14)7-5-6-8-12/h14H,4-9H2,1-3H3,(H,13,15)
InChIKeyNYUBJCDKLZZLGZ-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methylpropanamide
CID 62550986
2-bromo-N-[1-(hydroxymethyl)cyclobutyl]-2-methylpropanamide
CID 114329200
2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methylpentanamide
CID 55086703
N-(1-ethylcyclopentyl)-2,2-dimethylpropanamide
CID 58542277
N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide
CID 56793427
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbutanamide
CID 106298541
2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide
CID 79813853
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2,2-dimethylbutanamide
CID 114758463
2-ethoxy-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519579
N-[1-(hydroxymethyl)cyclopentyl]heptanamide
CID 62518617
N-[1-(hydroxymethyl)cyclopentyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242231
3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62517846

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylbutanamide (CID 62679590) is N-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NC1(CO)CCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylbutanamide?
The InChIKey is NYUBJCDKLZZLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-11(2,3)10(15)13-12(9-14)7-5-6-8-12/h14H,4-9H2,1-3H3,(H,13,15).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylbutanamide?
N-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylbutanamide has a molecular weight of 213.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 62679590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).