N-[4-[[(2-ethoxybenzoyl)amino]carbamoyl]phenyl]benzamide

C23H21N3O4 — CID 4926581

IUPACN-[4-[[(2-ethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
SMILESCCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21N3O4/c1-2-30-20-11-7-6-10-19(20)23(29)26-25-22(28)17-12-14-18(15-13-17)24-21(27)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyUMAYSKYNLWWOGA-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.41
Rot. Bonds6

About N-[4-[[(2-ethoxybenzoyl)amino]carbamoyl]phenyl]benzamide

N-[4-[[(2-ethoxybenzoyl)amino]carbamoyl]phenyl]benzamide (PubChem CID 4926581) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[4-[[(2-ethoxybenzoyl)amino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[(2-ethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
PubChem CID4926581
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-[4-[[(2-ethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
SMILESCCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21N3O4/c1-2-30-20-11-7-6-10-19(20)23(29)26-25-22(28)17-12-14-18(15-13-17)24-21(27)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyUMAYSKYNLWWOGA-UHFFFAOYSA-N
XLogP3.41
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 836714
2-ethoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 26522658
2-ethoxy-N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]benzamide
CID 4927060
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
CID 7601514
4-[2-(2-ethoxybenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4926492
N-[4-[[[2-(2-ethoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
CID 17122839
2-ethoxy-N-[4-(propanoylamino)phenyl]benzamide
CID 17204882
propyl 4-[(2-ethoxybenzoyl)amino]benzoate
CID 4565616
ethyl N-[4-[(2-ethoxybenzoyl)amino]phenyl]carbamate
CID 110178230
2-ethoxy-N-(4-methoxyphenyl)benzamide
CID 5019237

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-ethoxybenzoyl)amino]carbamoyl]phenyl]benzamide?
The IUPAC name of N-[4-[[(2-ethoxybenzoyl)amino]carbamoyl]phenyl]benzamide (CID 4926581) is N-[4-[[(2-ethoxybenzoyl)amino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[[(2-ethoxybenzoyl)amino]carbamoyl]phenyl]benzamide?
The canonical SMILES for N-[4-[[(2-ethoxybenzoyl)amino]carbamoyl]phenyl]benzamide is CCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[[(2-ethoxybenzoyl)amino]carbamoyl]phenyl]benzamide?
The InChIKey is UMAYSKYNLWWOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-2-30-20-11-7-6-10-19(20)23(29)26-25-22(28)17-12-14-18(15-13-17)24-21(27)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N-[4-[[(2-ethoxybenzoyl)amino]carbamoyl]phenyl]benzamide?
N-[4-[[(2-ethoxybenzoyl)amino]carbamoyl]phenyl]benzamide has a molecular weight of 403.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-ethoxybenzoyl)amino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 4926581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).