3-(cyclopropylcarbamoylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide

C20H22N4O4 — CID 55914786

IUPAC3-(cyclopropylcarbamoylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)NC3CC3)c2)cc1
InChIInChI=1S/C20H22N4O4/c1-28-12-18(25)21-14-5-7-15(8-6-14)22-19(26)13-3-2-4-17(11-13)24-20(27)23-16-9-10-16/h2-8,11,16H,9-10,12H2,1H3,(H,21,25)(H,22,26)(H2,23,24,27)
InChIKeyMPIDWGUDIQGHJL-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.81
Rot. Bonds7

About 3-(cyclopropylcarbamoylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide

3-(cyclopropylcarbamoylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide (PubChem CID 55914786) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-(cyclopropylcarbamoylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylcarbamoylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
PubChem CID55914786
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name3-(cyclopropylcarbamoylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)NC3CC3)c2)cc1
InChIInChI=1S/C20H22N4O4/c1-28-12-18(25)21-14-5-7-15(8-6-14)22-19(26)13-3-2-4-17(11-13)24-20(27)23-16-9-10-16/h2-8,11,16H,9-10,12H2,1H3,(H,21,25)(H,22,26)(H2,23,24,27)
InChIKeyMPIDWGUDIQGHJL-UHFFFAOYSA-N
XLogP2.81
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
3-(cyclopropylcarbamoylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 55911957
methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
CID 109050811
3-chloro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46879470
3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide
CID 47298640
3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide
CID 60527660
methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 42157013
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
4-[(2-methoxyacetyl)amino]-N-phenylbenzamide
CID 138999243
N-tert-butyl-3-[(2-methoxyacetyl)amino]benzamide
CID 47251267
N-cyclopropyl-3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
CID 24581450
N-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
CID 119617687

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylcarbamoylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide?
The IUPAC name of 3-(cyclopropylcarbamoylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide (CID 55914786) is 3-(cyclopropylcarbamoylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 3-(cyclopropylcarbamoylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide?
The canonical SMILES for 3-(cyclopropylcarbamoylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide is COCC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)NC3CC3)c2)cc1.
What is the InChIKey of 3-(cyclopropylcarbamoylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide?
The InChIKey is MPIDWGUDIQGHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-28-12-18(25)21-14-5-7-15(8-6-14)22-19(26)13-3-2-4-17(11-13)24-20(27)23-16-9-10-16/h2-8,11,16H,9-10,12H2,1H3,(H,21,25)(H,22,26)(H2,23,24,27).
What are the key properties of 3-(cyclopropylcarbamoylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide?
3-(cyclopropylcarbamoylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide has a molecular weight of 382.42 g/mol, XLogP of 2.81, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylcarbamoylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 55914786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).