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

C19H21N3O3 — CID 86846187

IUPACN-benzyl-4-[[2-(propanoylamino)acetyl]amino]benzamide
SMILESCCC(=O)NCC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H21N3O3/c1-2-17(23)20-13-18(24)22-16-10-8-15(9-11-16)19(25)21-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyPXRLJOUCMLCYAM-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.08
Rot. Bonds7

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

N-benzyl-4-[[2-(propanoylamino)acetyl]amino]benzamide (PubChem CID 86846187) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-benzyl-4-[[2-(propanoylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[2-(propanoylamino)acetyl]amino]benzamide
PubChem CID86846187
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-benzyl-4-[[2-(propanoylamino)acetyl]amino]benzamide
SMILESCCC(=O)NCC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H21N3O3/c1-2-17(23)20-13-18(24)22-16-10-8-15(9-11-16)19(25)21-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyPXRLJOUCMLCYAM-UHFFFAOYSA-N
XLogP2.08
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54843743
4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54835804
N-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54844716
N-benzyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54844304
N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide
CID 54810964
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
N-benzyl-4-[[2-(dipropylamino)acetyl]amino]benzamide
CID 54818841
methyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 803106
N-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide
CID 54839752
N-benzyl-4-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide
CID 54823265
N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 28639871
N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 54840404

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[2-(propanoylamino)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-4-[[2-(propanoylamino)acetyl]amino]benzamide (CID 86846187) is N-benzyl-4-[[2-(propanoylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-4-[[2-(propanoylamino)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-4-[[2-(propanoylamino)acetyl]amino]benzamide is CCC(=O)NCC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[[2-(propanoylamino)acetyl]amino]benzamide?
The InChIKey is PXRLJOUCMLCYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-2-17(23)20-13-18(24)22-16-10-8-15(9-11-16)19(25)21-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,23)(H,21,25)(H,22,24).
What are the key properties of N-benzyl-4-[[2-(propanoylamino)acetyl]amino]benzamide?
N-benzyl-4-[[2-(propanoylamino)acetyl]amino]benzamide has a molecular weight of 339.40 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[2-(propanoylamino)acetyl]amino]benzamide is sourced from PubChem (CID 86846187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).