N,N-dimethyl-2-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide

C20H23N3O3 — CID 39231388

IUPACN,N-dimethyl-2-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide
SMILESCN(C)C(=O)c1ccccc1NC(=O)CCNC(=O)Cc1ccccc1
InChIInChI=1S/C20H23N3O3/c1-23(2)20(26)16-10-6-7-11-17(16)22-18(24)12-13-21-19(25)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyRTVOGELJLBGAJZ-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.08
Rot. Bonds7

About N,N-dimethyl-2-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide

N,N-dimethyl-2-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide (PubChem CID 39231388) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide
PubChem CID39231388
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN,N-dimethyl-2-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide
SMILESCN(C)C(=O)c1ccccc1NC(=O)CCNC(=O)Cc1ccccc1
InChIInChI=1S/C20H23N3O3/c1-23(2)20(26)16-10-6-7-11-17(16)22-18(24)12-13-21-19(25)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyRTVOGELJLBGAJZ-UHFFFAOYSA-N
XLogP2.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide
CID 4943067
benzyl N-[4-[2-(dimethylcarbamoyl)anilino]-4-oxobutyl]carbamate
CID 55872499
3-[3-[(2-phenylacetyl)amino]propanoylamino]propanoic acid
CID 119177045
2-(3-acetamidopropanoylamino)-N-methylbenzamide
CID 110606657
N-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide
CID 17179013
2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
CID 54761803
2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 33252278
2-[(4-amino-3-methylbutanoyl)amino]-N,N-dimethylbenzamide
CID 81075404
N-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 86926661
N-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 51310881
N-(2-methoxyethyl)-2-(3-phenylpropanoylamino)benzamide
CID 2206654
N-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
CID 17154235

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide?
The IUPAC name of N,N-dimethyl-2-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide (CID 39231388) is N,N-dimethyl-2-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide.
What is the SMILES notation for N,N-dimethyl-2-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide?
The canonical SMILES for N,N-dimethyl-2-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide is CN(C)C(=O)c1ccccc1NC(=O)CCNC(=O)Cc1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide?
The InChIKey is RTVOGELJLBGAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-23(2)20(26)16-10-6-7-11-17(16)22-18(24)12-13-21-19(25)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N,N-dimethyl-2-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide?
N,N-dimethyl-2-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide has a molecular weight of 353.42 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide is sourced from PubChem (CID 39231388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).