methyl N-[2-[[3-(propanoylamino)phenyl]carbamoyl]phenyl]carbamate

C18H19N3O4 — CID 56789409

IUPACmethyl N-[2-[[3-(propanoylamino)phenyl]carbamoyl]phenyl]carbamate
SMILESCCC(=O)Nc1cccc(NC(=O)c2ccccc2NC(=O)OC)c1
InChIInChI=1S/C18H19N3O4/c1-3-16(22)19-12-7-6-8-13(11-12)20-17(23)14-9-4-5-10-15(14)21-18(24)25-2/h4-11H,3H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyZJXUSQOECRJQEZ-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.47
Rot. Bonds5

About methyl N-[2-[[3-(propanoylamino)phenyl]carbamoyl]phenyl]carbamate

methyl N-[2-[[3-(propanoylamino)phenyl]carbamoyl]phenyl]carbamate (PubChem CID 56789409) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is methyl N-[2-[[3-(propanoylamino)phenyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[3-(propanoylamino)phenyl]carbamoyl]phenyl]carbamate
PubChem CID56789409
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Namemethyl N-[2-[[3-(propanoylamino)phenyl]carbamoyl]phenyl]carbamate
SMILESCCC(=O)Nc1cccc(NC(=O)c2ccccc2NC(=O)OC)c1
InChIInChI=1S/C18H19N3O4/c1-3-16(22)19-12-7-6-8-13(11-12)20-17(23)14-9-4-5-10-15(14)21-18(24)25-2/h4-11H,3H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyZJXUSQOECRJQEZ-UHFFFAOYSA-N
XLogP3.47
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamido-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46579689
2-(2-ethoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17188354
2-[(2-bromophenyl)methoxy]-N-[3-(propanoylamino)phenyl]benzamide
CID 55574442
4-[[2-(propanoylamino)benzoyl]amino]benzoic acid
CID 2232955
2-chloro-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 1227605
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2521413
2-[[2-(2-ethoxyanilino)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 30568013
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 55355003
N-[3-(methoxyamino)phenyl]propanamide;toluene
CID 163567770
2-chloro-N-[3-(propanoylamino)phenyl]furan-3-carboxamide
CID 106686546
2-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 38397232
N-(3-methylphenyl)-2-(propylamino)benzamide
CID 62171242

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[3-(propanoylamino)phenyl]carbamoyl]phenyl]carbamate?
The IUPAC name of methyl N-[2-[[3-(propanoylamino)phenyl]carbamoyl]phenyl]carbamate (CID 56789409) is methyl N-[2-[[3-(propanoylamino)phenyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[2-[[3-(propanoylamino)phenyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for methyl N-[2-[[3-(propanoylamino)phenyl]carbamoyl]phenyl]carbamate is CCC(=O)Nc1cccc(NC(=O)c2ccccc2NC(=O)OC)c1.
What is the InChIKey of methyl N-[2-[[3-(propanoylamino)phenyl]carbamoyl]phenyl]carbamate?
The InChIKey is ZJXUSQOECRJQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-3-16(22)19-12-7-6-8-13(11-12)20-17(23)14-9-4-5-10-15(14)21-18(24)25-2/h4-11H,3H2,1-2H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of methyl N-[2-[[3-(propanoylamino)phenyl]carbamoyl]phenyl]carbamate?
methyl N-[2-[[3-(propanoylamino)phenyl]carbamoyl]phenyl]carbamate has a molecular weight of 341.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[3-(propanoylamino)phenyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 56789409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).