N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide

C20H23NO3 — CID 7779404

IUPACN-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H23NO3/c1-2-14-24-18-10-8-17(9-11-18)19(22)12-13-20(23)21-15-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,21,23)
InChIKeyGNMNTIAKIPVOLE-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.75
Rot. Bonds9

About N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide

N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide (PubChem CID 7779404) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide.

Molecular Properties

Compound NameN-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide
PubChem CID7779404
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H23NO3/c1-2-14-24-18-10-8-17(9-11-18)19(22)12-13-20(23)21-15-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,21,23)
InChIKeyGNMNTIAKIPVOLE-UHFFFAOYSA-N
XLogP3.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-4-(4-propoxyphenyl)-N-(pyridin-3-ylmethyl)butanamide
CID 29175980
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55509603
5-[[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110305
N-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 78796002
N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 38451172
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838
4-[[[2-(4-propoxyphenoxy)acetyl]amino]methyl]benzoic acid
CID 45426481
N-benzyl-4-[(4-propoxybenzoyl)amino]benzamide
CID 28639944
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 31424462
N-(2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 9413945
N-benzyl-4-oxo-4-[2-[4-(2-phenylethoxy)benzoyl]hydrazinyl]butanamide
CID 4956632
4-oxo-4-[(4-pentoxyphenyl)methylamino]butanoic acid
CID 9151485

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide?
The IUPAC name of N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide (CID 7779404) is N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide.
What is the SMILES notation for N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide?
The canonical SMILES for N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide is CCCOc1ccc(C(=O)CCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide?
The InChIKey is GNMNTIAKIPVOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-2-14-24-18-10-8-17(9-11-18)19(22)12-13-20(23)21-15-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,21,23).
What are the key properties of N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide?
N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide has a molecular weight of 325.41 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide is sourced from PubChem (CID 7779404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).