4-[(2-ethylphenyl)carbamoylamino]-N-propylbenzamide

C19H23N3O2 — CID 17180735

IUPAC4-[(2-ethylphenyl)carbamoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)Nc2ccccc2CC)cc1
InChIInChI=1S/C19H23N3O2/c1-3-13-20-18(23)15-9-11-16(12-10-15)21-19(24)22-17-8-6-5-7-14(17)4-2/h5-12H,3-4,13H2,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyIAKVDDNNWZKVFG-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.03
Rot. Bonds6

About 4-[(2-ethylphenyl)carbamoylamino]-N-propylbenzamide

4-[(2-ethylphenyl)carbamoylamino]-N-propylbenzamide (PubChem CID 17180735) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[(2-ethylphenyl)carbamoylamino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[(2-ethylphenyl)carbamoylamino]-N-propylbenzamide
PubChem CID17180735
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[(2-ethylphenyl)carbamoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)Nc2ccccc2CC)cc1
InChIInChI=1S/C19H23N3O2/c1-3-13-20-18(23)15-9-11-16(12-10-15)21-19(24)22-17-8-6-5-7-14(17)4-2/h5-12H,3-4,13H2,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyIAKVDDNNWZKVFG-UHFFFAOYSA-N
XLogP4.03
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
4-(carbamoylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26076497
N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 17234281
N-(2-acetamidoethyl)-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 121062071
N-(2-ethylphenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119447
1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049739
2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17218704
N'-(2-ethylphenyl)-N-propylpropanediamide
CID 108940680
1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046007
1-(4-cyanophenyl)-3-(2-ethylphenyl)urea
CID 108991489
4-N-(2-bromophenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109043031
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylphenyl)carbamoylamino]-N-propylbenzamide?
The IUPAC name of 4-[(2-ethylphenyl)carbamoylamino]-N-propylbenzamide (CID 17180735) is 4-[(2-ethylphenyl)carbamoylamino]-N-propylbenzamide.
What is the SMILES notation for 4-[(2-ethylphenyl)carbamoylamino]-N-propylbenzamide?
The canonical SMILES for 4-[(2-ethylphenyl)carbamoylamino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)Nc2ccccc2CC)cc1.
What is the InChIKey of 4-[(2-ethylphenyl)carbamoylamino]-N-propylbenzamide?
The InChIKey is IAKVDDNNWZKVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-13-20-18(23)15-9-11-16(12-10-15)21-19(24)22-17-8-6-5-7-14(17)4-2/h5-12H,3-4,13H2,1-2H3,(H,20,23)(H2,21,22,24).
What are the key properties of 4-[(2-ethylphenyl)carbamoylamino]-N-propylbenzamide?
4-[(2-ethylphenyl)carbamoylamino]-N-propylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 4.03, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylphenyl)carbamoylamino]-N-propylbenzamide is sourced from PubChem (CID 17180735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).