N-benzyl-4-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide

C25H27N3O2 — CID 54823265

IUPACN-benzyl-4-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide
SMILESCC(C)c1ccccc1NCC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C25H27N3O2/c1-18(2)22-10-6-7-11-23(22)26-17-24(29)28-21-14-12-20(13-15-21)25(30)27-16-19-8-4-3-5-9-19/h3-15,18,26H,16-17H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyPQBQOZKBTXCDEZ-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.79
Rot. Bonds8

About N-benzyl-4-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide

N-benzyl-4-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide (PubChem CID 54823265) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-benzyl-4-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide
PubChem CID54823265
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-benzyl-4-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide
SMILESCC(C)c1ccccc1NCC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C25H27N3O2/c1-18(2)22-10-6-7-11-23(22)26-17-24(29)28-21-14-12-20(13-15-21)25(30)27-16-19-8-4-3-5-9-19/h3-15,18,26H,16-17H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyPQBQOZKBTXCDEZ-UHFFFAOYSA-N
XLogP4.79
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.79
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-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide
CID 54839752
4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54835804
N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide
CID 54823438
N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide
CID 54810964
N-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54843854
N-benzyl-4-[[2-(propanoylamino)acetyl]amino]benzamide
CID 86846187
N-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide
CID 54814086
N-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54844716
N-benzyl-4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]benzamide
CID 54829711
N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 54840404
N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54843743

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-4-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide (CID 54823265) is N-benzyl-4-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-4-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-4-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide is CC(C)c1ccccc1NCC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide?
The InChIKey is PQBQOZKBTXCDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-18(2)22-10-6-7-11-23(22)26-17-24(29)28-21-14-12-20(13-15-21)25(30)27-16-19-8-4-3-5-9-19/h3-15,18,26H,16-17H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of N-benzyl-4-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide?
N-benzyl-4-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide has a molecular weight of 401.51 g/mol, XLogP of 4.79, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54823265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).