N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide

C24H25N3O2 — CID 54823438

IUPACN-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide
SMILESCC(C)c1ccccc1NCC(=O)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C24H25N3O2/c1-17(2)21-13-6-7-14-22(21)25-16-23(28)26-19-11-8-12-20(15-19)27-24(29)18-9-4-3-5-10-18/h3-15,17,25H,16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyYAEMYMBAYKZLSU-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.11
Rot. Bonds7

About N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide

N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide (PubChem CID 54823438) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide
PubChem CID54823438
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide
SMILESCC(C)c1ccccc1NCC(=O)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C24H25N3O2/c1-17(2)21-13-6-7-14-22(21)25-16-23(28)26-19-11-8-12-20(15-19)27-24(29)18-9-4-3-5-10-18/h3-15,17,25H,16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyYAEMYMBAYKZLSU-UHFFFAOYSA-N
XLogP5.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2-(2-propan-2-ylanilino)acetamide
CID 7636862
N-ethyl-N-phenyl-3-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide
CID 54823205
3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54823564
N-(3-ethoxyphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 54823260
2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 18096583
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide
CID 54813402
N-benzyl-4-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide
CID 54823265
3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
CID 54842293
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(2-propan-2-ylanilino)acetamide
CID 54823206
N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839157
N-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide
CID 54845223
N-(phenylcarbamoyl)-2-(2-propan-2-ylanilino)acetamide
CID 41397541

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide (CID 54823438) is N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide is CC(C)c1ccccc1NCC(=O)Nc1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide?
The InChIKey is YAEMYMBAYKZLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-17(2)21-13-6-7-14-22(21)25-16-23(28)26-19-11-8-12-20(15-19)27-24(29)18-9-4-3-5-10-18/h3-15,17,25H,16H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide?
N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide has a molecular weight of 387.48 g/mol, XLogP of 5.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 54823438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).