2-cyclopentyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide

C14H27NO2 — CID 95984589

IUPAC2-cyclopentyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide
SMILESCC(C)(C)[C@@H](O)CCNC(=O)CC1CCCC1
InChIInChI=1S/C14H27NO2/c1-14(2,3)12(16)8-9-15-13(17)10-11-6-4-5-7-11/h11-12,16H,4-10H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyBXQATWLZHRGGPD-LBPRGKRZSA-N
MW241.37 g/mol
LogP2.48
Rot. Bonds5

About 2-cyclopentyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide

2-cyclopentyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide (PubChem CID 95984589) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide
PubChem CID95984589
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-cyclopentyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide
SMILESCC(C)(C)[C@@H](O)CCNC(=O)CC1CCCC1
InChIInChI=1S/C14H27NO2/c1-14(2,3)12(16)8-9-15-13(17)10-11-6-4-5-7-11/h11-12,16H,4-10H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyBXQATWLZHRGGPD-LBPRGKRZSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide (CID 95984589) is 2-cyclopentyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide is CC(C)(C)[C@@H](O)CCNC(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide?
The InChIKey is BXQATWLZHRGGPD-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(2,3)12(16)8-9-15-13(17)10-11-6-4-5-7-11/h11-12,16H,4-10H2,1-3H3,(H,15,17)/t12-/m0/s1.
What are the key properties of 2-cyclopentyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide?
2-cyclopentyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide has a molecular weight of 241.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide is sourced from PubChem (CID 95984589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).