N-[3-[benzyl(methyl)amino]propyl]-4-propylbenzamide

C21H28N2O — CID 52750322

IUPACN-[3-[benzyl(methyl)amino]propyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCCCN(C)Cc2ccccc2)cc1
InChIInChI=1S/C21H28N2O/c1-3-8-18-11-13-20(14-12-18)21(24)22-15-7-16-23(2)17-19-9-5-4-6-10-19/h4-6,9-14H,3,7-8,15-17H2,1-2H3,(H,22,24)
InChIKeyFZTAXYPIZMGGRY-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.89
Rot. Bonds9

About N-[3-[benzyl(methyl)amino]propyl]-4-propylbenzamide

N-[3-[benzyl(methyl)amino]propyl]-4-propylbenzamide (PubChem CID 52750322) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-4-propylbenzamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-4-propylbenzamide
PubChem CID52750322
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCCCN(C)Cc2ccccc2)cc1
InChIInChI=1S/C21H28N2O/c1-3-8-18-11-13-20(14-12-18)21(24)22-15-7-16-23(2)17-19-9-5-4-6-10-19/h4-6,9-14H,3,7-8,15-17H2,1-2H3,(H,22,24)
InChIKeyFZTAXYPIZMGGRY-UHFFFAOYSA-N
XLogP3.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Procarbazine
CID 4915
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CID 4284
Procarbazine Hydrochloride
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Amylase
CID 71475145
N-Propylbenzamide
CID 25354
N-(Phenylmethyl)hexadecanamide
CID 11198769
AR-M1000390
CID 9841259
N-Ethylbenzamide
CID 11959
N,N-Dibenzylbenzamide
CID 101312
N-Butylbenzamide
CID 76024
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CID 690446
1-Benzoylpiperazine
CID 762654

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-4-propylbenzamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-4-propylbenzamide (CID 52750322) is N-[3-[benzyl(methyl)amino]propyl]-4-propylbenzamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-4-propylbenzamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-4-propylbenzamide is CCCc1ccc(C(=O)NCCCN(C)Cc2ccccc2)cc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-4-propylbenzamide?
The InChIKey is FZTAXYPIZMGGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-3-8-18-11-13-20(14-12-18)21(24)22-15-7-16-23(2)17-19-9-5-4-6-10-19/h4-6,9-14H,3,7-8,15-17H2,1-2H3,(H,22,24).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-4-propylbenzamide?
N-[3-[benzyl(methyl)amino]propyl]-4-propylbenzamide has a molecular weight of 324.47 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-4-propylbenzamide is sourced from PubChem (CID 52750322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).