N-methyl-2-[3-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzamide

C24H23N3O3 — CID 169421607

IUPACN-methyl-2-[3-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzamide
SMILESCNC(=O)Cc1ccc(NC(=O)c2cccc(-c3ccccc3C(=O)NC)c2)cc1
InChIInChI=1S/C24H23N3O3/c1-25-22(28)14-16-10-12-19(13-11-16)27-23(29)18-7-5-6-17(15-18)20-8-3-4-9-21(20)24(30)26-2/h3-13,15H,14H2,1-2H3,(H,25,28)(H,26,30)(H,27,29)
InChIKeyACBZGGYBRXUCRT-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.25
Rot. Bonds6

About N-methyl-2-[3-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzamide

N-methyl-2-[3-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzamide (PubChem CID 169421607) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-methyl-2-[3-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-[3-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzamide
PubChem CID169421607
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-methyl-2-[3-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzamide
SMILESCNC(=O)Cc1ccc(NC(=O)c2cccc(-c3ccccc3C(=O)NC)c2)cc1
InChIInChI=1S/C24H23N3O3/c1-25-22(28)14-16-10-12-19(13-11-16)27-23(29)18-7-5-6-17(15-18)20-8-3-4-9-21(20)24(30)26-2/h3-13,15H,14H2,1-2H3,(H,25,28)(H,26,30)(H,27,29)
InChIKeyACBZGGYBRXUCRT-UHFFFAOYSA-N
XLogP3.25
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide
CID 171673970
2-[3-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid
CID 21238494
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-(2-methylpropyl)benzamide
CID 119047123
4-iodo-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 35364713
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 43707293
5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 35365084
3-methyl-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
CID 5343922
N-(4-acetamidophenyl)-3-phenylbenzamide
CID 117092873
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 134062959
3-chloro-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
CID 54780710
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-nitrobenzamide
CID 38402521
N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70145257

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzamide?
The IUPAC name of N-methyl-2-[3-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzamide (CID 169421607) is N-methyl-2-[3-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-methyl-2-[3-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzamide?
The canonical SMILES for N-methyl-2-[3-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzamide is CNC(=O)Cc1ccc(NC(=O)c2cccc(-c3ccccc3C(=O)NC)c2)cc1.
What is the InChIKey of N-methyl-2-[3-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzamide?
The InChIKey is ACBZGGYBRXUCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-25-22(28)14-16-10-12-19(13-11-16)27-23(29)18-7-5-6-17(15-18)20-8-3-4-9-21(20)24(30)26-2/h3-13,15H,14H2,1-2H3,(H,25,28)(H,26,30)(H,27,29).
What are the key properties of N-methyl-2-[3-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzamide?
N-methyl-2-[3-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzamide has a molecular weight of 401.47 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 169421607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).