N-benzyl-N-ethyl-4-(propanoylamino)benzamide

C19H22N2O2 — CID 17257316

IUPACN-benzyl-N-ethyl-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)N(CC)Cc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-3-18(22)20-17-12-10-16(11-13-17)19(23)21(4-2)14-15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3,(H,20,22)
InChIKeyYXKBTJLNZAVTDQ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.70
Rot. Bonds6

About N-benzyl-N-ethyl-4-(propanoylamino)benzamide

N-benzyl-N-ethyl-4-(propanoylamino)benzamide (PubChem CID 17257316) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-(propanoylamino)benzamide
PubChem CID17257316
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-benzyl-N-ethyl-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)N(CC)Cc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-3-18(22)20-17-12-10-16(11-13-17)19(23)21(4-2)14-15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3,(H,20,22)
InChIKeyYXKBTJLNZAVTDQ-UHFFFAOYSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-ethyl-3-(propanoylamino)benzamide
CID 17309573
N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide
CID 17399777
benzyl-[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium
CID 8900908
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 55437961
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54834109
N-benzyl-N-(2-hydroxyethyl)-3-(propanoylamino)benzamide
CID 46988992
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylbenzamide
CID 18077820
1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109047506
N-benzyl-4-carbamothioyl-N-ethylbenzamide
CID 28983877
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
N'-benzyl-N-(4-tert-butylphenyl)-N'-ethylpropanediamide
CID 108947354

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-(propanoylamino)benzamide?
The IUPAC name of N-benzyl-N-ethyl-4-(propanoylamino)benzamide (CID 17257316) is N-benzyl-N-ethyl-4-(propanoylamino)benzamide.
What is the SMILES notation for N-benzyl-N-ethyl-4-(propanoylamino)benzamide?
The canonical SMILES for N-benzyl-N-ethyl-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)N(CC)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-ethyl-4-(propanoylamino)benzamide?
The InChIKey is YXKBTJLNZAVTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-18(22)20-17-12-10-16(11-13-17)19(23)21(4-2)14-15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3,(H,20,22).
What are the key properties of N-benzyl-N-ethyl-4-(propanoylamino)benzamide?
N-benzyl-N-ethyl-4-(propanoylamino)benzamide has a molecular weight of 310.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-(propanoylamino)benzamide is sourced from PubChem (CID 17257316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).