N-[(3-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide

C12H23NO2 — CID 103279887

IUPACN-[(3-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC1CCC(O)C1
InChIInChI=1S/C12H23NO2/c1-12(2,3)7-11(15)13-8-9-4-5-10(14)6-9/h9-10,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyGCPBIDREAANCPW-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.70
Rot. Bonds3

About N-[(3-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide

N-[(3-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide (PubChem CID 103279887) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
PubChem CID103279887
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC1CCC(O)C1
InChIInChI=1S/C12H23NO2/c1-12(2,3)7-11(15)13-8-9-4-5-10(14)6-9/h9-10,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyGCPBIDREAANCPW-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280419
4-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methylpentanamide
CID 106134360
N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide
CID 106137763
2-bromo-N-[(3-hydroxycyclopentyl)methyl]-2-methylpropanamide
CID 106127935
N-[(3-hydroxycyclopentyl)methyl]-4-oxopentanamide
CID 106135905
N-[(3-bromocyclohexyl)methyl]-3,3-dimethylbutanamide
CID 106132571
3-chloro-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106127897
methyl N-[(3-hydroxycyclopentyl)methyl]carbamate
CID 103279767
2-[acetyl(methyl)amino]-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280418
N-[(3-hydroxycyclopentyl)methyl]-2-(prop-2-ynylamino)acetamide
CID 106134001
N-[(3-hydroxycyclopentyl)methyl]-4-methoxypentanamide
CID 103280773
N-[(3-hydroxycyclopentyl)methyl]cyclopropanecarboxamide
CID 103280320

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide (CID 103279887) is N-[(3-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCC1CCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide?
The InChIKey is GCPBIDREAANCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2,3)7-11(15)13-8-9-4-5-10(14)6-9/h9-10,14H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide?
N-[(3-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide has a molecular weight of 213.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 103279887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).