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

C22H30N2O — CID 118607453

IUPACN-[3-[benzyl(methyl)amino]propyl]-4-butylbenzamide
SMILESCCCCc1ccc(C(=O)NCCCN(C)Cc2ccccc2)cc1
InChIInChI=1S/C22H30N2O/c1-3-4-9-19-12-14-21(15-13-19)22(25)23-16-8-17-24(2)18-20-10-6-5-7-11-20/h5-7,10-15H,3-4,8-9,16-18H2,1-2H3,(H,23,25)
InChIKeyQHTZTRVKDYEVCN-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.28
Rot. Bonds10

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

N-[3-[benzyl(methyl)amino]propyl]-4-butylbenzamide (PubChem CID 118607453) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-4-butylbenzamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-4-butylbenzamide
PubChem CID118607453
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-4-butylbenzamide
SMILESCCCCc1ccc(C(=O)NCCCN(C)Cc2ccccc2)cc1
InChIInChI=1S/C22H30N2O/c1-3-4-9-19-12-14-21(15-13-19)22(25)23-16-8-17-24(2)18-20-10-6-5-7-11-20/h5-7,10-15H,3-4,8-9,16-18H2,1-2H3,(H,23,25)
InChIKeyQHTZTRVKDYEVCN-UHFFFAOYSA-N
XLogP4.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.28
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-4-butylbenzamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-4-butylbenzamide (CID 118607453) is N-[3-[benzyl(methyl)amino]propyl]-4-butylbenzamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-4-butylbenzamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-4-butylbenzamide is CCCCc1ccc(C(=O)NCCCN(C)Cc2ccccc2)cc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-4-butylbenzamide?
The InChIKey is QHTZTRVKDYEVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-3-4-9-19-12-14-21(15-13-19)22(25)23-16-8-17-24(2)18-20-10-6-5-7-11-20/h5-7,10-15H,3-4,8-9,16-18H2,1-2H3,(H,23,25).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-4-butylbenzamide?
N-[3-[benzyl(methyl)amino]propyl]-4-butylbenzamide has a molecular weight of 338.50 g/mol, XLogP of 4.28, 10 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-butylbenzamide is sourced from PubChem (CID 118607453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).