3-[[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]amino]-N-methylbenzamide

C19H22N4O3 — CID 18086382

IUPAC3-[[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]amino]-N-methylbenzamide
SMILESCCNC(=O)NC(=O)C(Nc1cccc(C(=O)NC)c1)c1ccccc1
InChIInChI=1S/C19H22N4O3/c1-3-21-19(26)23-18(25)16(13-8-5-4-6-9-13)22-15-11-7-10-14(12-15)17(24)20-2/h4-12,16,22H,3H2,1-2H3,(H,20,24)(H2,21,23,25,26)
InChIKeyRLMAWZCXJMMWIC-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.05
Rot. Bonds6

About 3-[[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]amino]-N-methylbenzamide

3-[[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]amino]-N-methylbenzamide (PubChem CID 18086382) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]amino]-N-methylbenzamide
PubChem CID18086382
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-[[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]amino]-N-methylbenzamide
SMILESCCNC(=O)NC(=O)C(Nc1cccc(C(=O)NC)c1)c1ccccc1
InChIInChI=1S/C19H22N4O3/c1-3-21-19(26)23-18(25)16(13-8-5-4-6-9-13)22-15-11-7-10-14(12-15)17(24)20-2/h4-12,16,22H,3H2,1-2H3,(H,20,24)(H2,21,23,25,26)
InChIKeyRLMAWZCXJMMWIC-UHFFFAOYSA-N
XLogP2.05
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(ethylcarbamoyl)-2-phenyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 40794821
N-(ethylcarbamoyl)-2-(3-iodo-4-methylanilino)-2-phenylacetamide
CID 24561891
methyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate
CID 17393629
N-methyl-3-[[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]amino]benzamide
CID 95302647
N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide
CID 43767557
N-(ethylcarbamoyl)benzamide
CID 23273840
3-(ethylcarbamoylcarbamoyl)benzoic acid
CID 174419235
3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide
CID 94157840
(2R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 8599191
(2R)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 8599195
(2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-phenylanilino)acetamide
CID 7509578
(2R)-2-(4-ethoxyanilino)-N-(methylcarbamoyl)-2-phenylacetamide
CID 7509504

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]amino]-N-methylbenzamide (CID 18086382) is 3-[[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]amino]-N-methylbenzamide is CCNC(=O)NC(=O)C(Nc1cccc(C(=O)NC)c1)c1ccccc1.
What is the InChIKey of 3-[[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]amino]-N-methylbenzamide?
The InChIKey is RLMAWZCXJMMWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-3-21-19(26)23-18(25)16(13-8-5-4-6-9-13)22-15-11-7-10-14(12-15)17(24)20-2/h4-12,16,22H,3H2,1-2H3,(H,20,24)(H2,21,23,25,26).
What are the key properties of 3-[[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]amino]-N-methylbenzamide?
3-[[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]amino]-N-methylbenzamide has a molecular weight of 354.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]amino]-N-methylbenzamide is sourced from PubChem (CID 18086382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).