N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide

C18H21N3O2 — CID 54846211

IUPACN-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
SMILESCNC(=O)c1ccc(NCC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13(14-6-4-3-5-7-14)21-17(22)12-20-16-10-8-15(9-11-16)18(23)19-2/h3-11,13,20H,12H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyCXLPRPFKFITMJO-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.34
Rot. Bonds6

About N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide

N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide (PubChem CID 54846211) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
PubChem CID54846211
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
SMILESCNC(=O)c1ccc(NCC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13(14-6-4-3-5-7-14)21-17(22)12-20-16-10-8-15(9-11-16)18(23)19-2/h3-11,13,20H,12H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyCXLPRPFKFITMJO-UHFFFAOYSA-N
XLogP2.34
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846054
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
2-(4-methylanilino)-N-(1-phenylethyl)acetamide
CID 54814142
2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 9098999
N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide
CID 54835521
4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813381
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846371
4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832017
4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846255
4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54838229
4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54839780

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide?
The IUPAC name of N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide (CID 54846211) is N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide.
What is the SMILES notation for N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide?
The canonical SMILES for N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide is CNC(=O)c1ccc(NCC(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide?
The InChIKey is CXLPRPFKFITMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13(14-6-4-3-5-7-14)21-17(22)12-20-16-10-8-15(9-11-16)18(23)19-2/h3-11,13,20H,12H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide?
N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide has a molecular weight of 311.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide is sourced from PubChem (CID 54846211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).