4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide

C19H23N3O2 — CID 41306684

IUPAC4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
SMILESCN(CCCNC(=O)c1ccc(C(N)=O)cc1)Cc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-22(14-15-6-3-2-4-7-15)13-5-12-21-19(24)17-10-8-16(9-11-17)18(20)23/h2-4,6-11H,5,12-14H2,1H3,(H2,20,23)(H,21,24)
InChIKeyNZIFDUGTVDXNJG-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.04
Rot. Bonds8

About 4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide

4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide (PubChem CID 41306684) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
PubChem CID41306684
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
SMILESCN(CCCNC(=O)c1ccc(C(N)=O)cc1)Cc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-22(14-15-6-3-2-4-7-15)13-5-12-21-19(24)17-10-8-16(9-11-17)18(20)23/h2-4,6-11H,5,12-14H2,1H3,(H2,20,23)(H,21,24)
InChIKeyNZIFDUGTVDXNJG-UHFFFAOYSA-N
XLogP2.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.04
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

4-(2-aminoethyl)-N-[3-[benzyl(methyl)amino]propyl]benzamide
CID 113236698
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide
CID 41306011
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119835670
tert-butyl N-[[4-[3-[benzyl(methyl)amino]propylcarbamoyl]phenyl]methyl]carbamate
CID 41307191
N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
CID 110444087
2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671
4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid
CID 55005830
N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide
CID 56787694
N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylbenzamide
CID 17474341
N-[3-[benzyl(methyl)amino]propyl]-2-methoxybenzamide
CID 18118649
N-[3-[benzyl(methyl)amino]propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 41306034

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide (CID 41306684) is 4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide is CN(CCCNC(=O)c1ccc(C(N)=O)cc1)Cc1ccccc1.
What is the InChIKey of 4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide?
The InChIKey is NZIFDUGTVDXNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-22(14-15-6-3-2-4-7-15)13-5-12-21-19(24)17-10-8-16(9-11-17)18(20)23/h2-4,6-11H,5,12-14H2,1H3,(H2,20,23)(H,21,24).
What are the key properties of 4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide?
4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 41306684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).