1-N-(3-methoxyphenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide

C21H26N2O3 — CID 109049073

IUPAC1-N-(3-methoxyphenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
SMILESCCCN(CCC)C(=O)c1ccc(C(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C21H26N2O3/c1-4-13-23(14-5-2)21(25)17-11-9-16(10-12-17)20(24)22-18-7-6-8-19(15-18)26-3/h6-12,15H,4-5,13-14H2,1-3H3,(H,22,24)
InChIKeyWPMOKABATGGRAJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.21
Rot. Bonds8

About 1-N-(3-methoxyphenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide

1-N-(3-methoxyphenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide (PubChem CID 109049073) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-N-(3-methoxyphenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methoxyphenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
PubChem CID109049073
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-N-(3-methoxyphenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
SMILESCCCN(CCC)C(=O)c1ccc(C(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C21H26N2O3/c1-4-13-23(14-5-2)21(25)17-11-9-16(10-12-17)20(24)22-18-7-6-8-19(15-18)26-3/h6-12,15H,4-5,13-14H2,1-3H3,(H,22,24)
InChIKeyWPMOKABATGGRAJ-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methoxybenzoyl)amino]-N,N-dipropylbenzamide
CID 26162261
1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109049096
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055870
1-N-[2-(dimethylamino)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045806
3-methoxy-N,N-dipropylbenzamide
CID 669439
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050069
methyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109049092
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
methyl 3-[[3-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109056644
3-[(4-butan-2-yloxybenzoyl)amino]-N,N-dipropylbenzamide
CID 43877291

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxyphenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-methoxyphenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide (CID 109049073) is 1-N-(3-methoxyphenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-methoxyphenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-methoxyphenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide is CCCN(CCC)C(=O)c1ccc(C(=O)Nc2cccc(OC)c2)cc1.
What is the InChIKey of 1-N-(3-methoxyphenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide?
The InChIKey is WPMOKABATGGRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-13-23(14-5-2)21(25)17-11-9-16(10-12-17)20(24)22-18-7-6-8-19(15-18)26-3/h6-12,15H,4-5,13-14H2,1-3H3,(H,22,24).
What are the key properties of 1-N-(3-methoxyphenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide?
1-N-(3-methoxyphenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide has a molecular weight of 354.45 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxyphenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109049073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).