N-(3-aminopropyl)-N-benzyl-4-methylbenzamide

C18H22N2O — CID 107365954

IUPACN-(3-aminopropyl)-N-benzyl-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCCN)Cc2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-15-8-10-17(11-9-15)18(21)20(13-5-12-19)14-16-6-3-2-4-7-16/h2-4,6-11H,5,12-14,19H2,1H3
InChIKeyWIRFTGFHOVYNEJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.99
Rot. Bonds6

About N-(3-aminopropyl)-N-benzyl-4-methylbenzamide

N-(3-aminopropyl)-N-benzyl-4-methylbenzamide (PubChem CID 107365954) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-4-methylbenzamide
PubChem CID107365954
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(3-aminopropyl)-N-benzyl-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCCN)Cc2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-15-8-10-17(11-9-15)18(21)20(13-5-12-19)14-16-6-3-2-4-7-16/h2-4,6-11H,5,12-14,19H2,1H3
InChIKeyWIRFTGFHOVYNEJ-UHFFFAOYSA-N
XLogP2.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride
CID 120649613
N-(3-aminopropyl)-N-benzyl-6-oxo-1H-pyridine-3-carboxamide
CID 107365742
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N-(3-aminopropyl)-N-benzyl-3-bromobenzamide
CID 107365609
N-(3-aminopropyl)-N-benzyl-3-iodobenzamide
CID 107365856
3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide
CID 120648912
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide
CID 120648770
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 120648747
[4-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]methylphosphonic acid
CID 23877767
N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide
CID 107366158

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-4-methylbenzamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-4-methylbenzamide (CID 107365954) is N-(3-aminopropyl)-N-benzyl-4-methylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-4-methylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-4-methylbenzamide is Cc1ccc(C(=O)N(CCCN)Cc2ccccc2)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-4-methylbenzamide?
The InChIKey is WIRFTGFHOVYNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-15-8-10-17(11-9-15)18(21)20(13-5-12-19)14-16-6-3-2-4-7-16/h2-4,6-11H,5,12-14,19H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-4-methylbenzamide?
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-4-methylbenzamide is sourced from PubChem (CID 107365954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).