N-[3-[(dimethylamino)methyl]phenyl]-N-propylbenzamide

C19H24N2O — CID 11409957

IUPACN-[3-[(dimethylamino)methyl]phenyl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1)c1cccc(CN(C)C)c1
InChIInChI=1S/C19H24N2O/c1-4-13-21(19(22)17-10-6-5-7-11-17)18-12-8-9-16(14-18)15-20(2)3/h5-12,14H,4,13,15H2,1-3H3
InChIKeyKQIVCXOISRRVOV-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.81
Rot. Bonds6

About N-[3-[(dimethylamino)methyl]phenyl]-N-propylbenzamide

N-[3-[(dimethylamino)methyl]phenyl]-N-propylbenzamide (PubChem CID 11409957) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]phenyl]-N-propylbenzamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]phenyl]-N-propylbenzamide
PubChem CID11409957
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[3-[(dimethylamino)methyl]phenyl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1)c1cccc(CN(C)C)c1
InChIInChI=1S/C19H24N2O/c1-4-13-21(19(22)17-10-6-5-7-11-17)18-12-8-9-16(14-18)15-20(2)3/h5-12,14H,4,13,15H2,1-3H3
InChIKeyKQIVCXOISRRVOV-UHFFFAOYSA-N
XLogP3.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[3-[(dimethylamino)methyl]phenyl]-N-propylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide
CID 42859274
4-methyl-N-(3-methylphenyl)-N-propylbenzamide
CID 17319549
N-(3-ethylphenyl)-N-methylbenzamide
CID 90124245
N-(2-hydroxyethyl)-N-(3-methylphenyl)benzamide
CID 91297666
3-[[methyl(propyl)amino]methyl]benzoic acid
CID 43271448
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
3-bromo-N-butyl-N-phenylbenzamide
CID 17256559
N-butyl-3-(methylsulfonylmethyl)-N-phenylbenzamide
CID 78811673
N-(3-aminophenyl)-3-iodo-N-propylbenzamide
CID 63229988
3-(2,2-dimethylbutyl)-N-ethyl-N-phenylbenzamide
CID 71053714
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
N-benzyl-N-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-3-fluorobenzamide
CID 42859313

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-N-propylbenzamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-N-propylbenzamide (CID 11409957) is N-[3-[(dimethylamino)methyl]phenyl]-N-propylbenzamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]phenyl]-N-propylbenzamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]phenyl]-N-propylbenzamide is CCCN(C(=O)c1ccccc1)c1cccc(CN(C)C)c1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]phenyl]-N-propylbenzamide?
The InChIKey is KQIVCXOISRRVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-4-13-21(19(22)17-10-6-5-7-11-17)18-12-8-9-16(14-18)15-20(2)3/h5-12,14H,4,13,15H2,1-3H3.
What are the key properties of N-[3-[(dimethylamino)methyl]phenyl]-N-propylbenzamide?
N-[3-[(dimethylamino)methyl]phenyl]-N-propylbenzamide has a molecular weight of 296.41 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]phenyl]-N-propylbenzamide is sourced from PubChem (CID 11409957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).