3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-methyl-N-phenylbenzamide

C19H22N4O3 — CID 87010500

IUPAC3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-methyl-N-phenylbenzamide
SMILESCCNC(=O)CNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C19H22N4O3/c1-3-20-17(24)13-21-19(26)22-15-9-7-8-14(12-15)18(25)23(2)16-10-5-4-6-11-16/h4-12H,3,13H2,1-2H3,(H,20,24)(H2,21,22,26)
InChIKeyKUWDDRIHZHKFLJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.22
Rot. Bonds6

About 3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-methyl-N-phenylbenzamide

3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-methyl-N-phenylbenzamide (PubChem CID 87010500) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-methyl-N-phenylbenzamide
PubChem CID87010500
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-methyl-N-phenylbenzamide
SMILESCCNC(=O)CNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C19H22N4O3/c1-3-20-17(24)13-21-19(26)22-15-9-7-8-14(12-15)18(25)23(2)16-10-5-4-6-11-16/h4-12H,3,13H2,1-2H3,(H,20,24)(H2,21,22,26)
InChIKeyKUWDDRIHZHKFLJ-UHFFFAOYSA-N
XLogP2.22
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54820939
3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide
CID 17227739
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54818547
3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837465
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837458
3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54813421
N-(3-acetylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 18160954
1-[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549335
3-[[2-(2,3-dimethylanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54816099
3-[[2-(2-chloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54810348
3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837384
methyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 17227914

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-methyl-N-phenylbenzamide (CID 87010500) is 3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-methyl-N-phenylbenzamide is CCNC(=O)CNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1.
What is the InChIKey of 3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-methyl-N-phenylbenzamide?
The InChIKey is KUWDDRIHZHKFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-3-20-17(24)13-21-19(26)22-15-9-7-8-14(12-15)18(25)23(2)16-10-5-4-6-11-16/h4-12H,3,13H2,1-2H3,(H,20,24)(H2,21,22,26).
What are the key properties of 3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-methyl-N-phenylbenzamide?
3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-methyl-N-phenylbenzamide has a molecular weight of 354.41 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 87010500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).