N-[4-(butanoylamino)phenyl]-3-ethoxybenzamide

C19H22N2O3 — CID 876127

IUPACN-[4-(butanoylamino)phenyl]-3-ethoxybenzamide
SMILESCCCC(=O)Nc1ccc(NC(=O)c2cccc(OCC)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-6-18(22)20-15-9-11-16(12-10-15)21-19(23)14-7-5-8-17(13-14)24-4-2/h5,7-13H,3-4,6H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHLELZPABNOSUFU-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.08
Rot. Bonds7

About N-[4-(butanoylamino)phenyl]-3-ethoxybenzamide

N-[4-(butanoylamino)phenyl]-3-ethoxybenzamide (PubChem CID 876127) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[4-(butanoylamino)phenyl]-3-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-(butanoylamino)phenyl]-3-ethoxybenzamide
PubChem CID876127
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[4-(butanoylamino)phenyl]-3-ethoxybenzamide
SMILESCCCC(=O)Nc1ccc(NC(=O)c2cccc(OCC)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-6-18(22)20-15-9-11-16(12-10-15)21-19(23)14-7-5-8-17(13-14)24-4-2/h5,7-13H,3-4,6H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHLELZPABNOSUFU-UHFFFAOYSA-N
XLogP4.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide
CID 17202577
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
methyl 3-[[4-(butanoylamino)phenyl]carbamoyl]benzoate
CID 17202591
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
N-[4-(acetylcarbamothioylamino)phenyl]-3-ethoxybenzamide
CID 4636699
3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid
CID 1364896
[3-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927655
N-[5-(butanoylamino)-2-chlorophenyl]-3-propoxybenzamide
CID 4508582
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17202804
(4-benzamidophenyl) 3-ethoxybenzoate
CID 55883088

Frequently Asked Questions

What is the IUPAC name of N-[4-(butanoylamino)phenyl]-3-ethoxybenzamide?
The IUPAC name of N-[4-(butanoylamino)phenyl]-3-ethoxybenzamide (CID 876127) is N-[4-(butanoylamino)phenyl]-3-ethoxybenzamide.
What is the SMILES notation for N-[4-(butanoylamino)phenyl]-3-ethoxybenzamide?
The canonical SMILES for N-[4-(butanoylamino)phenyl]-3-ethoxybenzamide is CCCC(=O)Nc1ccc(NC(=O)c2cccc(OCC)c2)cc1.
What is the InChIKey of N-[4-(butanoylamino)phenyl]-3-ethoxybenzamide?
The InChIKey is HLELZPABNOSUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-6-18(22)20-15-9-11-16(12-10-15)21-19(23)14-7-5-8-17(13-14)24-4-2/h5,7-13H,3-4,6H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-(butanoylamino)phenyl]-3-ethoxybenzamide?
N-[4-(butanoylamino)phenyl]-3-ethoxybenzamide has a molecular weight of 326.40 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butanoylamino)phenyl]-3-ethoxybenzamide is sourced from PubChem (CID 876127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).