N-[3-[benzyl(methyl)amino]propyl]-3-methoxybenzamide

C19H24N2O2 — CID 18118654

IUPACN-[3-[benzyl(methyl)amino]propyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCN(C)Cc2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-21(15-16-8-4-3-5-9-16)13-7-12-20-19(22)17-10-6-11-18(14-17)23-2/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,20,22)
InChIKeyBUZMANQQSWHHCG-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.95
Rot. Bonds8

About N-[3-[benzyl(methyl)amino]propyl]-3-methoxybenzamide

N-[3-[benzyl(methyl)amino]propyl]-3-methoxybenzamide (PubChem CID 18118654) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-3-methoxybenzamide
PubChem CID18118654
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCN(C)Cc2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-21(15-16-8-4-3-5-9-16)13-7-12-20-19(22)17-10-6-11-18(14-17)23-2/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,20,22)
InChIKeyBUZMANQQSWHHCG-UHFFFAOYSA-N
XLogP2.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-3-methoxybenzamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-3-methoxybenzamide (CID 18118654) is N-[3-[benzyl(methyl)amino]propyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCCN(C)Cc2ccccc2)c1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-3-methoxybenzamide?
The InChIKey is BUZMANQQSWHHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-21(15-16-8-4-3-5-9-16)13-7-12-20-19(22)17-10-6-11-18(14-17)23-2/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,20,22).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-3-methoxybenzamide?
N-[3-[benzyl(methyl)amino]propyl]-3-methoxybenzamide has a molecular weight of 312.41 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-3-methoxybenzamide is sourced from PubChem (CID 18118654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).