3-(cyclopropanecarbonylamino)-N-(4-pentylphenyl)benzamide

C22H26N2O2 — CID 34030665

IUPAC3-(cyclopropanecarbonylamino)-N-(4-pentylphenyl)benzamide
SMILESCCCCCc1ccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C22H26N2O2/c1-2-3-4-6-16-9-13-19(14-10-16)23-22(26)18-7-5-8-20(15-18)24-21(25)17-11-12-17/h5,7-10,13-15,17H,2-4,6,11-12H2,1H3,(H,23,26)(H,24,25)
InChIKeySJEXBYCQNBKERT-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.02
Rot. Bonds8

About 3-(cyclopropanecarbonylamino)-N-(4-pentylphenyl)benzamide

3-(cyclopropanecarbonylamino)-N-(4-pentylphenyl)benzamide (PubChem CID 34030665) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-(4-pentylphenyl)benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-(4-pentylphenyl)benzamide
PubChem CID34030665
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-(cyclopropanecarbonylamino)-N-(4-pentylphenyl)benzamide
SMILESCCCCCc1ccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C22H26N2O2/c1-2-3-4-6-16-9-13-19(14-10-16)23-22(26)18-7-5-8-20(15-18)24-21(25)17-11-12-17/h5,7-10,13-15,17H,2-4,6,11-12H2,1H3,(H,23,26)(H,24,25)
InChIKeySJEXBYCQNBKERT-UHFFFAOYSA-N
XLogP5.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 33151643
N-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride
CID 162755830
N-[3-[[[2-(4-butylphenyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 24566999
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954
4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26776914
3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide
CID 26110757
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402
N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide
CID 19206974
3-(cyclopropanecarbonylamino)-N-(4-phenoxyphenyl)benzamide
CID 34757379

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-(4-pentylphenyl)benzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-(4-pentylphenyl)benzamide (CID 34030665) is 3-(cyclopropanecarbonylamino)-N-(4-pentylphenyl)benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-(4-pentylphenyl)benzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-(4-pentylphenyl)benzamide is CCCCCc1ccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-(4-pentylphenyl)benzamide?
The InChIKey is SJEXBYCQNBKERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-2-3-4-6-16-9-13-19(14-10-16)23-22(26)18-7-5-8-20(15-18)24-21(25)17-11-12-17/h5,7-10,13-15,17H,2-4,6,11-12H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-(4-pentylphenyl)benzamide?
3-(cyclopropanecarbonylamino)-N-(4-pentylphenyl)benzamide has a molecular weight of 350.46 g/mol, XLogP of 5.02, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-(4-pentylphenyl)benzamide is sourced from PubChem (CID 34030665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).