N-[2-[[4-(carbamoylamino)phenyl]methylamino]-2-oxoethyl]-N-methylbenzamide

C18H20N4O3 — CID 86923192

IUPACN-[2-[[4-(carbamoylamino)phenyl]methylamino]-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NCc1ccc(NC(N)=O)cc1)C(=O)c1ccccc1
InChIInChI=1S/C18H20N4O3/c1-22(17(24)14-5-3-2-4-6-14)12-16(23)20-11-13-7-9-15(10-8-13)21-18(19)25/h2-10H,11-12H2,1H3,(H,20,23)(H3,19,21,25)
InChIKeyJVAFSVGLSZFLKG-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.57
Rot. Bonds6

About N-[2-[[4-(carbamoylamino)phenyl]methylamino]-2-oxoethyl]-N-methylbenzamide

N-[2-[[4-(carbamoylamino)phenyl]methylamino]-2-oxoethyl]-N-methylbenzamide (PubChem CID 86923192) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[2-[[4-(carbamoylamino)phenyl]methylamino]-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[4-(carbamoylamino)phenyl]methylamino]-2-oxoethyl]-N-methylbenzamide
PubChem CID86923192
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[2-[[4-(carbamoylamino)phenyl]methylamino]-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NCc1ccc(NC(N)=O)cc1)C(=O)c1ccccc1
InChIInChI=1S/C18H20N4O3/c1-22(17(24)14-5-3-2-4-6-14)12-16(23)20-11-13-7-9-15(10-8-13)21-18(19)25/h2-10H,11-12H2,1H3,(H,20,23)(H3,19,21,25)
InChIKeyJVAFSVGLSZFLKG-UHFFFAOYSA-N
XLogP1.57
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(carbamoylamino)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 30091289
N-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide
CID 106164142
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
ethyl N-methyl-N-[2-oxo-2-[[3-(phenylcarbamoyl)phenyl]methylamino]ethyl]carbamate
CID 47056940
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
N-methyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]benzamide
CID 48500520
N-[[4-(carbamoylamino)phenyl]methyl]hexanamide
CID 52559075
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide
CID 60944613
[4-(benzylamino)phenyl]urea
CID 43744943
ethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate
CID 47257628
methyl N-[4-[[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]methyl]phenyl]carbamate
CID 55845804

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(carbamoylamino)phenyl]methylamino]-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of N-[2-[[4-(carbamoylamino)phenyl]methylamino]-2-oxoethyl]-N-methylbenzamide (CID 86923192) is N-[2-[[4-(carbamoylamino)phenyl]methylamino]-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-[[4-(carbamoylamino)phenyl]methylamino]-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-[[4-(carbamoylamino)phenyl]methylamino]-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)NCc1ccc(NC(N)=O)cc1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[[4-(carbamoylamino)phenyl]methylamino]-2-oxoethyl]-N-methylbenzamide?
The InChIKey is JVAFSVGLSZFLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-22(17(24)14-5-3-2-4-6-14)12-16(23)20-11-13-7-9-15(10-8-13)21-18(19)25/h2-10H,11-12H2,1H3,(H,20,23)(H3,19,21,25).
What are the key properties of N-[2-[[4-(carbamoylamino)phenyl]methylamino]-2-oxoethyl]-N-methylbenzamide?
N-[2-[[4-(carbamoylamino)phenyl]methylamino]-2-oxoethyl]-N-methylbenzamide has a molecular weight of 340.38 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(carbamoylamino)phenyl]methylamino]-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 86923192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).