1-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl)benzene-1,4-dicarboxamide

C20H25N3O3 — CID 109046031

IUPAC1-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl)benzene-1,4-dicarboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(C(=O)NCCCN(C)C)cc1
InChIInChI=1S/C20H25N3O3/c1-23(2)14-6-13-21-19(24)15-9-11-16(12-10-15)20(25)22-17-7-4-5-8-18(17)26-3/h4-5,7-12H,6,13-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyZADYQDBVNOSCPE-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.63
Rot. Bonds8

About 1-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl)benzene-1,4-dicarboxamide

1-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl)benzene-1,4-dicarboxamide (PubChem CID 109046031) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl)benzene-1,4-dicarboxamide
PubChem CID109046031
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl)benzene-1,4-dicarboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(C(=O)NCCCN(C)C)cc1
InChIInChI=1S/C20H25N3O3/c1-23(2)14-6-13-21-19(24)15-9-11-16(12-10-15)20(25)22-17-7-4-5-8-18(17)26-3/h4-5,7-12H,6,13-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyZADYQDBVNOSCPE-UHFFFAOYSA-N
XLogP2.63
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046007
N-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide
CID 7541651
N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide
CID 29371184
4-N-(2,4-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045814
1-N-[3-(dimethylamino)propyl]-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108973832
N-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride
CID 52995391
methyl 4-[[4-[3-(dimethylamino)propylcarbamoyl]benzoyl]amino]benzoate
CID 109046051
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835567
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
N-(2-methoxyphenyl)-4-sulfanylbenzamide
CID 107019826
1-N-[3-(dimethylamino)propyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109046073
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl)benzene-1,4-dicarboxamide (CID 109046031) is 1-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl)benzene-1,4-dicarboxamide is COc1ccccc1NC(=O)c1ccc(C(=O)NCCCN(C)C)cc1.
What is the InChIKey of 1-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl)benzene-1,4-dicarboxamide?
The InChIKey is ZADYQDBVNOSCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-23(2)14-6-13-21-19(24)15-9-11-16(12-10-15)20(25)22-17-7-4-5-8-18(17)26-3/h4-5,7-12H,6,13-14H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 1-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl)benzene-1,4-dicarboxamide?
1-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl)benzene-1,4-dicarboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109046031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).