N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide

C28H27N3O4 — CID 121062466

IUPACN-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(C(=O)NCCNC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C28H27N3O4/c1-18-6-8-19(9-7-18)25(32)23-4-2-3-5-24(23)28(35)31-22-14-12-21(13-15-22)27(34)30-17-16-29-26(33)20-10-11-20/h2-9,12-15,20H,10-11,16-17H2,1H3,(H,29,33)(H,30,34)(H,31,35)
InChIKeySTCVTYDSRXBGLN-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.73
Rot. Bonds9

About N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide

N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide (PubChem CID 121062466) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide
PubChem CID121062466
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC NameN-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(C(=O)NCCNC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C28H27N3O4/c1-18-6-8-19(9-7-18)25(32)23-4-2-3-5-24(23)28(35)31-22-14-12-21(13-15-22)27(34)30-17-16-29-26(33)20-10-11-20/h2-9,12-15,20H,10-11,16-17H2,1H3,(H,29,33)(H,30,34)(H,31,35)
InChIKeySTCVTYDSRXBGLN-UHFFFAOYSA-N
XLogP3.73
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062639
N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-benzoylbenzamide
CID 121062109
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 121062502
5-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-methoxybenzamide
CID 121062446
N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 121062420
N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 121062400
N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119299588
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2-ethylbutanoylamino)benzamide
CID 121062485
4-(cyclopropanecarbonylamino)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 46475446
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
CID 121062535
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
CID 121062532
N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-ethoxynaphthalene-1-carboxamide
CID 121062474

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide?
The IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide (CID 121062466) is N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide.
What is the SMILES notation for N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide?
The canonical SMILES for N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide is Cc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(C(=O)NCCNC(=O)C3CC3)cc2)cc1.
What is the InChIKey of N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide?
The InChIKey is STCVTYDSRXBGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-18-6-8-19(9-7-18)25(32)23-4-2-3-5-24(23)28(35)31-22-14-12-21(13-15-22)27(34)30-17-16-29-26(33)20-10-11-20/h2-9,12-15,20H,10-11,16-17H2,1H3,(H,29,33)(H,30,34)(H,31,35).
What are the key properties of N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide?
N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide has a molecular weight of 469.54 g/mol, XLogP of 3.73, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide is sourced from PubChem (CID 121062466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).