2-acetamido-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide

C14H26N2O3 — CID 115362386

IUPAC2-acetamido-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NCC1(CO)CCCC1)C(C)C
InChIInChI=1S/C14H26N2O3/c1-10(2)12(16-11(3)18)13(19)15-8-14(9-17)6-4-5-7-14/h10,12,17H,4-9H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyXZUCKFCZKXEFIK-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.82
Rot. Bonds6

About 2-acetamido-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide

2-acetamido-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide (PubChem CID 115362386) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-acetamido-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
PubChem CID115362386
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-acetamido-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NCC1(CO)CCCC1)C(C)C
InChIInChI=1S/C14H26N2O3/c1-10(2)12(16-11(3)18)13(19)15-8-14(9-17)6-4-5-7-14/h10,12,17H,4-9H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyXZUCKFCZKXEFIK-UHFFFAOYSA-N
XLogP0.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 112699726
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide
CID 115362678
2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
CID 113293899
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115360089
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-sulfanylpropanamide
CID 107034279
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 115362818
2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65123618
(2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpropanamide
CID 125439624
(2S)-2-acetamido-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide
CID 95619748
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-pentan-3-ylpropanamide
CID 115359406
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 113293910
2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966036

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide (CID 115362386) is 2-acetamido-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide is CC(=O)NC(C(=O)NCC1(CO)CCCC1)C(C)C.
What is the InChIKey of 2-acetamido-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide?
The InChIKey is XZUCKFCZKXEFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)12(16-11(3)18)13(19)15-8-14(9-17)6-4-5-7-14/h10,12,17H,4-9H2,1-3H3,(H,15,19)(H,16,18).
What are the key properties of 2-acetamido-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide?
2-acetamido-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide has a molecular weight of 270.37 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide is sourced from PubChem (CID 115362386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).