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

C21H27N3O2 — CID 109046007

IUPAC1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(C(=O)NCCCN(C)C)cc1
InChIInChI=1S/C21H27N3O2/c1-4-16-8-5-6-9-19(16)23-21(26)18-12-10-17(11-13-18)20(25)22-14-7-15-24(2)3/h5-6,8-13H,4,7,14-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyNUBLDPBWGCWCHX-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.18
Rot. Bonds8

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

1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109046007) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
PubChem CID109046007
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(C(=O)NCCCN(C)C)cc1
InChIInChI=1S/C21H27N3O2/c1-4-16-8-5-6-9-19(16)23-21(26)18-12-10-17(11-13-18)20(25)22-14-7-15-24(2)3/h5-6,8-13H,4,7,14-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyNUBLDPBWGCWCHX-UHFFFAOYSA-N
XLogP3.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109084067
1-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046031
N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide
CID 7585187
2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109253558
N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide
CID 109154445
N-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride
CID 52995391
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045787
1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea
CID 23764430
N-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide
CID 109064243
1-N-[3-(dimethylamino)propyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109046073
1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046713

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide (CID 109046007) is 1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide is CCc1ccccc1NC(=O)c1ccc(C(=O)NCCCN(C)C)cc1.
What is the InChIKey of 1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is NUBLDPBWGCWCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-16-8-5-6-9-19(16)23-21(26)18-12-10-17(11-13-18)20(25)22-14-7-15-24(2)3/h5-6,8-13H,4,7,14-15H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide?
1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109046007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).