N-methyl-2-(3-phenylbutanoylamino)benzamide

C18H20N2O2 — CID 110606644

IUPACN-methyl-2-(3-phenylbutanoylamino)benzamide
SMILESCNC(=O)c1ccccc1NC(=O)CC(C)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-13(14-8-4-3-5-9-14)12-17(21)20-16-11-7-6-10-15(16)18(22)19-2/h3-11,13H,12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeySNSYWQGQLOGRNA-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.18
Rot. Bonds5

About N-methyl-2-(3-phenylbutanoylamino)benzamide

N-methyl-2-(3-phenylbutanoylamino)benzamide (PubChem CID 110606644) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-methyl-2-(3-phenylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-methyl-2-(3-phenylbutanoylamino)benzamide
PubChem CID110606644
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-methyl-2-(3-phenylbutanoylamino)benzamide
SMILESCNC(=O)c1ccccc1NC(=O)CC(C)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-13(14-8-4-3-5-9-14)12-17(21)20-16-11-7-6-10-15(16)18(22)19-2/h3-11,13H,12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeySNSYWQGQLOGRNA-UHFFFAOYSA-N
XLogP3.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide
CID 120604234
(3R)-N-(2-methylphenyl)-3-phenylbutanamide
CID 7946569
N-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide
CID 17311962
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate
CID 7265956
N-methyl-2-(3-oxobutanoylamino)benzamide
CID 43579628
N-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide
CID 55919521
(3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide
CID 1122017
(3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide
CID 51942532
2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide
CID 82016802
2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
(3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide
CID 798501
N-(2-aminoethyl)-2-[3-(4-methoxyphenyl)butanoylamino]benzamide
CID 120603471

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-phenylbutanoylamino)benzamide?
The IUPAC name of N-methyl-2-(3-phenylbutanoylamino)benzamide (CID 110606644) is N-methyl-2-(3-phenylbutanoylamino)benzamide.
What is the SMILES notation for N-methyl-2-(3-phenylbutanoylamino)benzamide?
The canonical SMILES for N-methyl-2-(3-phenylbutanoylamino)benzamide is CNC(=O)c1ccccc1NC(=O)CC(C)c1ccccc1.
What is the InChIKey of N-methyl-2-(3-phenylbutanoylamino)benzamide?
The InChIKey is SNSYWQGQLOGRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13(14-8-4-3-5-9-14)12-17(21)20-16-11-7-6-10-15(16)18(22)19-2/h3-11,13H,12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-methyl-2-(3-phenylbutanoylamino)benzamide?
N-methyl-2-(3-phenylbutanoylamino)benzamide has a molecular weight of 296.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-phenylbutanoylamino)benzamide is sourced from PubChem (CID 110606644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).