N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide

C21H26N2O3 — CID 31287562

IUPACN,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CCc2ccc(OC)cc2)c1
InChIInChI=1S/C21H26N2O3/c1-4-23(5-2)21(25)17-7-6-8-18(15-17)22-20(24)14-11-16-9-12-19(26-3)13-10-16/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H,22,24)
InChIKeyNMQBYAXFRLWVEJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.75
Rot. Bonds8

About N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide

N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide (PubChem CID 31287562) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide
PubChem CID31287562
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CCc2ccc(OC)cc2)c1
InChIInChI=1S/C21H26N2O3/c1-4-23(5-2)21(25)17-7-6-8-18(15-17)22-20(24)14-11-16-9-12-19(26-3)13-10-16/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H,22,24)
InChIKeyNMQBYAXFRLWVEJ-UHFFFAOYSA-N
XLogP3.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
CID 17439563
N-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
N-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide
CID 7688847
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide
CID 119441047
N-ethyl-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide
CID 17230663
N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide
CID 838500
3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055871
N,N-diethyl-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide
CID 9093109
4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide
CID 100591859
N-(3-hydroxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 122135780

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide?
The IUPAC name of N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide (CID 31287562) is N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide?
The canonical SMILES for N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)CCc2ccc(OC)cc2)c1.
What is the InChIKey of N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide?
The InChIKey is NMQBYAXFRLWVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-23(5-2)21(25)17-7-6-8-18(15-17)22-20(24)14-11-16-9-12-19(26-3)13-10-16/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H,22,24).
What are the key properties of N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide?
N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide is sourced from PubChem (CID 31287562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).