3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-methylbenzamide

C15H18N2O2 — CID 51642056

IUPAC3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)C[C@@H]2C=CCC2)c1
InChIInChI=1S/C15H18N2O2/c1-16-15(19)12-7-4-8-13(10-12)17-14(18)9-11-5-2-3-6-11/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChIKeyYAMXHJMRSXIQAS-LLVKDONJSA-N
MW258.32 g/mol
LogP2.34
Rot. Bonds4

About 3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-methylbenzamide

3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-methylbenzamide (PubChem CID 51642056) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-methylbenzamide
PubChem CID51642056
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)C[C@@H]2C=CCC2)c1
InChIInChI=1S/C15H18N2O2/c1-16-15(19)12-7-4-8-13(10-12)17-14(18)9-11-5-2-3-6-11/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChIKeyYAMXHJMRSXIQAS-LLVKDONJSA-N
XLogP2.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-methylbenzamide
CID 18196739
2-cyclopent-2-en-1-yl-N-(3-hydroxyphenyl)acetamide
CID 43183292
2-[(1S)-cyclopent-2-en-1-yl]-N-[3-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 31887404
3-[[2-(azetidin-3-yl)acetyl]amino]-N-methylbenzamide
CID 64612034
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
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide
CID 54816300
2-cyclopent-2-en-1-yl-N-[3-(sulfamoylmethyl)phenyl]acetamide
CID 86865204
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
3-(3-aminopropanoylamino)-N-methylbenzamide
CID 61258621
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-methylbenzamide (CID 51642056) is 3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)C[C@@H]2C=CCC2)c1.
What is the InChIKey of 3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-methylbenzamide?
The InChIKey is YAMXHJMRSXIQAS-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-16-15(19)12-7-4-8-13(10-12)17-14(18)9-11-5-2-3-6-11/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,16,19)(H,17,18)/t11-/m1/s1.
What are the key properties of 3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-methylbenzamide?
3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-methylbenzamide has a molecular weight of 258.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 51642056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).