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

C19H22N2O2 — CID 46592660

IUPACN-methyl-3-[(2-phenylbutanoylamino)methyl]benzamide
SMILESCCC(C(=O)NCc1cccc(C(=O)NC)c1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-3-17(15-9-5-4-6-10-15)19(23)21-13-14-8-7-11-16(12-14)18(22)20-2/h4-12,17H,3,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJKTRRECNQDTZKO-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.86
Rot. Bonds6

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

N-methyl-3-[(2-phenylbutanoylamino)methyl]benzamide (PubChem CID 46592660) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-methyl-3-[(2-phenylbutanoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[(2-phenylbutanoylamino)methyl]benzamide
PubChem CID46592660
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-methyl-3-[(2-phenylbutanoylamino)methyl]benzamide
SMILESCCC(C(=O)NCc1cccc(C(=O)NC)c1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-3-17(15-9-5-4-6-10-15)19(23)21-13-14-8-7-11-16(12-14)18(22)20-2/h4-12,17H,3,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJKTRRECNQDTZKO-UHFFFAOYSA-N
XLogP2.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-methyl-3-[(2-phenylbutanoylamino)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-aminophenyl)methyl]-2-phenylbutanamide
CID 62499796
3-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-methylbenzamide
CID 119719976
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-N-methylbenzamide
CID 119719988
3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]-N-methylbenzamide;hydroiodide
CID 110952739
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-N-methylbenzamide;hydrochloride
CID 119719987
3-[[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]methyl]-N-methylbenzamide
CID 86994360
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylbutanamide
CID 30476254
3-ethyl-N-methylbenzamide
CID 59115297
N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
CID 94180645
N-methyl-3-[[[(1R)-1-(4-methylphenyl)propyl]amino]methyl]benzamide
CID 97230696
N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide
CID 119734831
2-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549379

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2-phenylbutanoylamino)methyl]benzamide?
The IUPAC name of N-methyl-3-[(2-phenylbutanoylamino)methyl]benzamide (CID 46592660) is N-methyl-3-[(2-phenylbutanoylamino)methyl]benzamide.
What is the SMILES notation for N-methyl-3-[(2-phenylbutanoylamino)methyl]benzamide?
The canonical SMILES for N-methyl-3-[(2-phenylbutanoylamino)methyl]benzamide is CCC(C(=O)NCc1cccc(C(=O)NC)c1)c1ccccc1.
What is the InChIKey of N-methyl-3-[(2-phenylbutanoylamino)methyl]benzamide?
The InChIKey is JKTRRECNQDTZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-17(15-9-5-4-6-10-15)19(23)21-13-14-8-7-11-16(12-14)18(22)20-2/h4-12,17H,3,13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-methyl-3-[(2-phenylbutanoylamino)methyl]benzamide?
N-methyl-3-[(2-phenylbutanoylamino)methyl]benzamide has a molecular weight of 310.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2-phenylbutanoylamino)methyl]benzamide is sourced from PubChem (CID 46592660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).