N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide

C23H23N3O3 — CID 54811131

IUPACN-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide
SMILESCCOc1ccc(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C23H23N3O3/c1-2-29-21-13-11-18(12-14-21)24-16-22(27)25-19-9-6-10-20(15-19)26-23(28)17-7-4-3-5-8-17/h3-15,24H,2,16H2,1H3,(H,25,27)(H,26,28)
InChIKeyWMUMWLHUVCRJGL-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.39
Rot. Bonds8

About N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide

N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide (PubChem CID 54811131) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide
PubChem CID54811131
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide
SMILESCCOc1ccc(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C23H23N3O3/c1-2-29-21-13-11-18(12-14-21)24-16-22(27)25-19-9-6-10-20(15-19)26-23(28)17-7-4-3-5-8-17/h3-15,24H,2,16H2,1H3,(H,25,27)(H,26,28)
InChIKeyWMUMWLHUVCRJGL-UHFFFAOYSA-N
XLogP4.39
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
CID 9100801
3-[[2-(4-ethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54811072
N-[3-[[2-[4-(3-methylbutoxy)anilino]acetyl]amino]phenyl]benzamide
CID 54821922
3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 54811015
N-[3-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 54839241
2-anilino-N-(3-ethoxyphenyl)acetamide
CID 54810362
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 9100799
N-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide
CID 9098933
2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide
CID 28569623
N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide
CID 54810283
N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
CID 54814514
4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26417233

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide (CID 54811131) is N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide is CCOc1ccc(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1.
What is the InChIKey of N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide?
The InChIKey is WMUMWLHUVCRJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-2-29-21-13-11-18(12-14-21)24-16-22(27)25-19-9-6-10-20(15-19)26-23(28)17-7-4-3-5-8-17/h3-15,24H,2,16H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide?
N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide has a molecular weight of 389.46 g/mol, XLogP of 4.39, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 54811131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).