N-cyclopentyl-2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide

C18H31NO2 — CID 38030089

IUPACN-cyclopentyl-2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide
SMILESCC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)NC1CCCC1
InChIInChI=1S/C18H31NO2/c1-12(2)17-9-14(13(3)8-15(17)11-20)10-18(21)19-16-6-4-5-7-16/h8,12,14-17,20H,4-7,9-11H2,1-3H3,(H,19,21)/t14-,15-,17-/m0/s1
InChIKeyAFSYWCYAUAYMSZ-ZOBUZTSGSA-N
MW293.45 g/mol
LogP3.28
Rot. Bonds5

About N-cyclopentyl-2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide

N-cyclopentyl-2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide (PubChem CID 38030089) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-cyclopentyl-2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide
PubChem CID38030089
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-cyclopentyl-2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide
SMILESCC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)NC1CCCC1
InChIInChI=1S/C18H31NO2/c1-12(2)17-9-14(13(3)8-15(17)11-20)10-18(21)19-16-6-4-5-7-16/h8,12,14-17,20H,4-7,9-11H2,1-3H3,(H,19,21)/t14-,15-,17-/m0/s1
InChIKeyAFSYWCYAUAYMSZ-ZOBUZTSGSA-N
XLogP3.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-cyclopentyl-2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide (CID 38030089) is N-cyclopentyl-2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide is CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide?
The InChIKey is AFSYWCYAUAYMSZ-ZOBUZTSGSA-N. The full InChI is InChI=1S/C18H31NO2/c1-12(2)17-9-14(13(3)8-15(17)11-20)10-18(21)19-16-6-4-5-7-16/h8,12,14-17,20H,4-7,9-11H2,1-3H3,(H,19,21)/t14-,15-,17-/m0/s1.
What are the key properties of N-cyclopentyl-2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide?
N-cyclopentyl-2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide has a molecular weight of 293.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide is sourced from PubChem (CID 38030089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).