N,N-dimethyl-3-[[2-(1-phenylpropylamino)acetyl]amino]benzamide

C20H25N3O2 — CID 54845868

IUPACN,N-dimethyl-3-[[2-(1-phenylpropylamino)acetyl]amino]benzamide
SMILESCCC(NCC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-4-18(15-9-6-5-7-10-15)21-14-19(24)22-17-12-8-11-16(13-17)20(25)23(2)3/h5-13,18,21H,4,14H2,1-3H3,(H,22,24)
InChIKeyZRNPLXNIRJLACY-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.07
Rot. Bonds7

About N,N-dimethyl-3-[[2-(1-phenylpropylamino)acetyl]amino]benzamide

N,N-dimethyl-3-[[2-(1-phenylpropylamino)acetyl]amino]benzamide (PubChem CID 54845868) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N,N-dimethyl-3-[[2-(1-phenylpropylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[2-(1-phenylpropylamino)acetyl]amino]benzamide
PubChem CID54845868
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN,N-dimethyl-3-[[2-(1-phenylpropylamino)acetyl]amino]benzamide
SMILESCCC(NCC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-4-18(15-9-6-5-7-10-15)21-14-19(24)22-17-12-8-11-16(13-17)20(25)23(2)3/h5-13,18,21H,4,14H2,1-3H3,(H,22,24)
InChIKeyZRNPLXNIRJLACY-UHFFFAOYSA-N
XLogP3.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-phenoxyethoxy)phenyl]-2-(1-phenylpropylamino)acetamide
CID 54845800
2-(1-phenylpropylamino)-N-(3-propoxyphenyl)acetamide
CID 54845702
2-[1-(3-chlorophenyl)propylamino]-N-phenylacetamide
CID 112841756
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide
CID 54819069
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide
CID 9263477
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 32908676
3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N,N-dimethylbenzamide
CID 46420486
N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1R)-1-(4-methylphenyl)propyl]amino]acetamide
CID 9264035
N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54840880
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
3-[[2-(2-ethoxyanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29458921

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[2-(1-phenylpropylamino)acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-3-[[2-(1-phenylpropylamino)acetyl]amino]benzamide (CID 54845868) is N,N-dimethyl-3-[[2-(1-phenylpropylamino)acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[2-(1-phenylpropylamino)acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[2-(1-phenylpropylamino)acetyl]amino]benzamide is CCC(NCC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-3-[[2-(1-phenylpropylamino)acetyl]amino]benzamide?
The InChIKey is ZRNPLXNIRJLACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-18(15-9-6-5-7-10-15)21-14-19(24)22-17-12-8-11-16(13-17)20(25)23(2)3/h5-13,18,21H,4,14H2,1-3H3,(H,22,24).
What are the key properties of N,N-dimethyl-3-[[2-(1-phenylpropylamino)acetyl]amino]benzamide?
N,N-dimethyl-3-[[2-(1-phenylpropylamino)acetyl]amino]benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[2-(1-phenylpropylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54845868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).