2-[(1S)-cyclopent-2-en-1-yl]-N-[3-(propan-2-ylcarbamoylamino)phenyl]acetamide

C17H23N3O2 — CID 31887404

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N-[3-(propan-2-ylcarbamoylamino)phenyl]acetamide
SMILESCC(C)NC(=O)Nc1cccc(NC(=O)C[C@H]2C=CCC2)c1
InChIInChI=1S/C17H23N3O2/c1-12(2)18-17(22)20-15-9-5-8-14(11-15)19-16(21)10-13-6-3-4-7-13/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3,(H,19,21)(H2,18,20,22)/t13-/m0/s1
InChIKeyGJWDEBHIFQKJBN-ZDUSSCGKSA-N
MW301.39 g/mol
LogP3.51
Rot. Bonds5

About 2-[(1S)-cyclopent-2-en-1-yl]-N-[3-(propan-2-ylcarbamoylamino)phenyl]acetamide

2-[(1S)-cyclopent-2-en-1-yl]-N-[3-(propan-2-ylcarbamoylamino)phenyl]acetamide (PubChem CID 31887404) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N-[3-(propan-2-ylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N-[3-(propan-2-ylcarbamoylamino)phenyl]acetamide
PubChem CID31887404
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N-[3-(propan-2-ylcarbamoylamino)phenyl]acetamide
SMILESCC(C)NC(=O)Nc1cccc(NC(=O)C[C@H]2C=CCC2)c1
InChIInChI=1S/C17H23N3O2/c1-12(2)18-17(22)20-15-9-5-8-14(11-15)19-16(21)10-13-6-3-4-7-13/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3,(H,19,21)(H2,18,20,22)/t13-/m0/s1
InChIKeyGJWDEBHIFQKJBN-ZDUSSCGKSA-N
XLogP3.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopent-2-en-1-yl-N-(3-hydroxyphenyl)acetamide
CID 43183292
2-cyclopent-2-en-1-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 46456745
3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-methylbenzamide
CID 51642056
2-cyclopent-2-en-1-yl-N-[3-(sulfamoylamino)phenyl]acetamide
CID 60728386
N-[3-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]thiophene-2-carboxamide
CID 51334384
2-cyclopent-2-en-1-yl-N-[3-(sulfamoylmethyl)phenyl]acetamide
CID 86865204
2-[(1R)-cyclohex-2-en-1-yl]-N-phenylacetamide
CID 102462286
N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9068457
N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 42945795
4-chloro-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-propan-2-ylbenzamide
CID 94141178
1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea
CID 47202672
2-[(1S)-cyclopent-2-en-1-yl]-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 41117337

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[3-(propan-2-ylcarbamoylamino)phenyl]acetamide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[3-(propan-2-ylcarbamoylamino)phenyl]acetamide (CID 31887404) is 2-[(1S)-cyclopent-2-en-1-yl]-N-[3-(propan-2-ylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N-[3-(propan-2-ylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N-[3-(propan-2-ylcarbamoylamino)phenyl]acetamide is CC(C)NC(=O)Nc1cccc(NC(=O)C[C@H]2C=CCC2)c1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N-[3-(propan-2-ylcarbamoylamino)phenyl]acetamide?
The InChIKey is GJWDEBHIFQKJBN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(2)18-17(22)20-15-9-5-8-14(11-15)19-16(21)10-13-6-3-4-7-13/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3,(H,19,21)(H2,18,20,22)/t13-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N-[3-(propan-2-ylcarbamoylamino)phenyl]acetamide?
2-[(1S)-cyclopent-2-en-1-yl]-N-[3-(propan-2-ylcarbamoylamino)phenyl]acetamide has a molecular weight of 301.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-N-[3-(propan-2-ylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 31887404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).