3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide

C19H22N2O3 — CID 109055871

IUPAC3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1cccc(C(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C19H22N2O3/c1-4-21(5-2)19(23)15-8-6-7-14(13-15)18(22)20-16-9-11-17(24-3)12-10-16/h6-13H,4-5H2,1-3H3,(H,20,22)
InChIKeyRYNWWTMMFCHROW-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.43
Rot. Bonds6

About 3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide

3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide (PubChem CID 109055871) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
PubChem CID109055871
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1cccc(C(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C19H22N2O3/c1-4-21(5-2)19(23)15-8-6-7-14(13-15)18(22)20-16-9-11-17(24-3)12-10-16/h6-13H,4-5H2,1-3H3,(H,20,22)
InChIKeyRYNWWTMMFCHROW-UHFFFAOYSA-N
XLogP3.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055870
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
3-[(4-methoxybenzoyl)amino]-N,N-dipropylbenzamide
CID 26162261
N,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 55996557
N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide
CID 70964039
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055517
N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 31287562
1-N-[2-(4-fluorophenyl)ethyl]-3-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055448
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide
CID 9094852

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide (CID 109055871) is 3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide is CCN(CC)C(=O)c1cccc(C(=O)Nc2ccc(OC)cc2)c1.
What is the InChIKey of 3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide?
The InChIKey is RYNWWTMMFCHROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-21(5-2)19(23)15-8-6-7-14(13-15)18(22)20-16-9-11-17(24-3)12-10-16/h6-13H,4-5H2,1-3H3,(H,20,22).
What are the key properties of 3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide?
3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).