N-benzyl-N-ethyl-3-(propanoylamino)benzamide

C19H22N2O2 — CID 17309573

IUPACN-benzyl-N-ethyl-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)N(CC)Cc2ccccc2)c1
InChIInChI=1S/C19H22N2O2/c1-3-18(22)20-17-12-8-11-16(13-17)19(23)21(4-2)14-15-9-6-5-7-10-15/h5-13H,3-4,14H2,1-2H3,(H,20,22)
InChIKeySONZJMHEVBZZDA-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.70
Rot. Bonds6

About N-benzyl-N-ethyl-3-(propanoylamino)benzamide

N-benzyl-N-ethyl-3-(propanoylamino)benzamide (PubChem CID 17309573) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-(propanoylamino)benzamide
PubChem CID17309573
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-benzyl-N-ethyl-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)N(CC)Cc2ccccc2)c1
InChIInChI=1S/C19H22N2O2/c1-3-18(22)20-17-12-8-11-16(13-17)19(23)21(4-2)14-15-9-6-5-7-10-15/h5-13H,3-4,14H2,1-2H3,(H,20,22)
InChIKeySONZJMHEVBZZDA-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-(2-hydroxyethyl)-3-(propanoylamino)benzamide
CID 46988992
N-benzyl-N-ethyl-4-(propanoylamino)benzamide
CID 17257316
N-(2-hydroxyethyl)-N-(2-phenylethyl)-3-(propanoylamino)benzamide
CID 111122030
3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
N-[3-(dibenzylcarbamothioylamino)phenyl]propanamide
CID 17382537
N,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide
CID 54815120
methyl 3-[[3-[benzyl(ethyl)amino]-3-oxopropanoyl]amino]benzoate
CID 108947389
N-benzyl-N-[[2-(dimethylamino)-5-(propanoylamino)phenyl]methyl]-3-fluorobenzamide
CID 42816290
3-[[[3-[[[3-[[[3-[[[3-[[[3-[[benzoyl(ethyl)amino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoic acid
CID 56590718
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050312
N-benzyl-3-[[2-(N-ethylanilino)acetyl]amino]-N-methylbenzamide
CID 54808952

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-(propanoylamino)benzamide?
The IUPAC name of N-benzyl-N-ethyl-3-(propanoylamino)benzamide (CID 17309573) is N-benzyl-N-ethyl-3-(propanoylamino)benzamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-(propanoylamino)benzamide?
The canonical SMILES for N-benzyl-N-ethyl-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)N(CC)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-N-ethyl-3-(propanoylamino)benzamide?
The InChIKey is SONZJMHEVBZZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-18(22)20-17-12-8-11-16(13-17)19(23)21(4-2)14-15-9-6-5-7-10-15/h5-13H,3-4,14H2,1-2H3,(H,20,22).
What are the key properties of N-benzyl-N-ethyl-3-(propanoylamino)benzamide?
N-benzyl-N-ethyl-3-(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-3-(propanoylamino)benzamide is sourced from PubChem (CID 17309573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).