N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]-2-methylbenzamide

C19H21N3O3 — CID 51315358

IUPACN-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NC(C(N)=O)c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-13-7-5-6-10-15(13)19(25)21-12-11-16(23)22-17(18(20)24)14-8-3-2-4-9-14/h2-10,17H,11-12H2,1H3,(H2,20,24)(H,21,25)(H,22,23)
InChIKeyJXSQEYSOBDRZKG-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.46
Rot. Bonds7

About N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]-2-methylbenzamide

N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]-2-methylbenzamide (PubChem CID 51315358) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]-2-methylbenzamide
PubChem CID51315358
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NC(C(N)=O)c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-13-7-5-6-10-15(13)19(25)21-12-11-16(23)22-17(18(20)24)14-8-3-2-4-9-14/h2-10,17H,11-12H2,1H3,(H2,20,24)(H,21,25)(H,22,23)
InChIKeyJXSQEYSOBDRZKG-UHFFFAOYSA-N
XLogP1.46
TPSA101.29 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 ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxo-1-phenylethyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 51315387
2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide
CID 51231530
N-[3-[1-(4-methoxyphenyl)propylamino]-3-oxopropyl]-2-methylbenzamide
CID 18090462
2-methyl-N-[3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxopropyl]benzamide
CID 9092093
N-[3-[[(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 60523190
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide
CID 94514836
N-[(2S)-2,3-diamino-3-oxopropyl]-2-methylbenzamide
CID 58987558
2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide
CID 9076728
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 42702795
2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47221536
N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide
CID 51308768
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(4-methylphenoxy)propanamide
CID 95567781

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]-2-methylbenzamide (CID 51315358) is N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCC(=O)NC(C(N)=O)c1ccccc1.
What is the InChIKey of N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]-2-methylbenzamide?
The InChIKey is JXSQEYSOBDRZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-7-5-6-10-15(13)19(25)21-12-11-16(23)22-17(18(20)24)14-8-3-2-4-9-14/h2-10,17H,11-12H2,1H3,(H2,20,24)(H,21,25)(H,22,23).
What are the key properties of N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]-2-methylbenzamide?
N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]-2-methylbenzamide has a molecular weight of 339.40 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 51315358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).