4-(cyclopentanecarbonylamino)-N-[2-[(2-methylphenyl)carbamoylamino]ethyl]benzamide

C23H28N4O3 — CID 121063331

IUPAC4-(cyclopentanecarbonylamino)-N-[2-[(2-methylphenyl)carbamoylamino]ethyl]benzamide
SMILESCc1ccccc1NC(=O)NCCNC(=O)c1ccc(NC(=O)C2CCCC2)cc1
InChIInChI=1S/C23H28N4O3/c1-16-6-2-5-9-20(16)27-23(30)25-15-14-24-21(28)18-10-12-19(13-11-18)26-22(29)17-7-3-4-8-17/h2,5-6,9-13,17H,3-4,7-8,14-15H2,1H3,(H,24,28)(H,26,29)(H2,25,27,30)
InChIKeyGDNOVNLZDOTLAY-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.68
Rot. Bonds7

About 4-(cyclopentanecarbonylamino)-N-[2-[(2-methylphenyl)carbamoylamino]ethyl]benzamide

4-(cyclopentanecarbonylamino)-N-[2-[(2-methylphenyl)carbamoylamino]ethyl]benzamide (PubChem CID 121063331) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-(cyclopentanecarbonylamino)-N-[2-[(2-methylphenyl)carbamoylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-(cyclopentanecarbonylamino)-N-[2-[(2-methylphenyl)carbamoylamino]ethyl]benzamide
PubChem CID121063331
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name4-(cyclopentanecarbonylamino)-N-[2-[(2-methylphenyl)carbamoylamino]ethyl]benzamide
SMILESCc1ccccc1NC(=O)NCCNC(=O)c1ccc(NC(=O)C2CCCC2)cc1
InChIInChI=1S/C23H28N4O3/c1-16-6-2-5-9-20(16)27-23(30)25-15-14-24-21(28)18-10-12-19(13-11-18)26-22(29)17-7-3-4-8-17/h2,5-6,9-13,17H,3-4,7-8,14-15H2,1H3,(H,24,28)(H,26,29)(H2,25,27,30)
InChIKeyGDNOVNLZDOTLAY-UHFFFAOYSA-N
XLogP3.68
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 121063317
N-[2-(tert-butylcarbamoylamino)ethyl]-4-(cyclopentanecarbonylamino)benzamide
CID 121063312
N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide
CID 121063342
N-[2-[(2-methylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063287
4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062258
4-(cyclohexanecarbonylamino)-N-propylbenzamide
CID 17218748
N-[2-[(4-chlorophenyl)methylcarbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide
CID 121063337
N-[3-(3,3-diphenylpropylcarbamoylamino)-4-methylphenyl]cyclopropanecarboxamide
CID 55742072
N-[2-[[4-[(2,3-dimethylphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062728
4-(cyclobutanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 47309837
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 46467572
N-[4-(methylaminocarbamoyl)phenyl]cyclobutanecarboxamide
CID 177007541

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentanecarbonylamino)-N-[2-[(2-methylphenyl)carbamoylamino]ethyl]benzamide?
The IUPAC name of 4-(cyclopentanecarbonylamino)-N-[2-[(2-methylphenyl)carbamoylamino]ethyl]benzamide (CID 121063331) is 4-(cyclopentanecarbonylamino)-N-[2-[(2-methylphenyl)carbamoylamino]ethyl]benzamide.
What is the SMILES notation for 4-(cyclopentanecarbonylamino)-N-[2-[(2-methylphenyl)carbamoylamino]ethyl]benzamide?
The canonical SMILES for 4-(cyclopentanecarbonylamino)-N-[2-[(2-methylphenyl)carbamoylamino]ethyl]benzamide is Cc1ccccc1NC(=O)NCCNC(=O)c1ccc(NC(=O)C2CCCC2)cc1.
What is the InChIKey of 4-(cyclopentanecarbonylamino)-N-[2-[(2-methylphenyl)carbamoylamino]ethyl]benzamide?
The InChIKey is GDNOVNLZDOTLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-16-6-2-5-9-20(16)27-23(30)25-15-14-24-21(28)18-10-12-19(13-11-18)26-22(29)17-7-3-4-8-17/h2,5-6,9-13,17H,3-4,7-8,14-15H2,1H3,(H,24,28)(H,26,29)(H2,25,27,30).
What are the key properties of 4-(cyclopentanecarbonylamino)-N-[2-[(2-methylphenyl)carbamoylamino]ethyl]benzamide?
4-(cyclopentanecarbonylamino)-N-[2-[(2-methylphenyl)carbamoylamino]ethyl]benzamide has a molecular weight of 408.50 g/mol, XLogP of 3.68, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentanecarbonylamino)-N-[2-[(2-methylphenyl)carbamoylamino]ethyl]benzamide is sourced from PubChem (CID 121063331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).