N,N-dimethyl-3-[[1-(oxolan-2-yl)propylamino]methyl]benzamide

C17H26N2O2 — CID 75521396

IUPACN,N-dimethyl-3-[[1-(oxolan-2-yl)propylamino]methyl]benzamide
SMILESCCC(NCc1cccc(C(=O)N(C)C)c1)C1CCCO1
InChIInChI=1S/C17H26N2O2/c1-4-15(16-9-6-10-21-16)18-12-13-7-5-8-14(11-13)17(20)19(2)3/h5,7-8,11,15-16,18H,4,6,9-10,12H2,1-3H3
InChIKeyDJYIPMROHZEZIU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.44
Rot. Bonds6

About N,N-dimethyl-3-[[1-(oxolan-2-yl)propylamino]methyl]benzamide

N,N-dimethyl-3-[[1-(oxolan-2-yl)propylamino]methyl]benzamide (PubChem CID 75521396) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N,N-dimethyl-3-[[1-(oxolan-2-yl)propylamino]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[1-(oxolan-2-yl)propylamino]methyl]benzamide
PubChem CID75521396
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN,N-dimethyl-3-[[1-(oxolan-2-yl)propylamino]methyl]benzamide
SMILESCCC(NCc1cccc(C(=O)N(C)C)c1)C1CCCO1
InChIInChI=1S/C17H26N2O2/c1-4-15(16-9-6-10-21-16)18-12-13-7-5-8-14(11-13)17(20)19(2)3/h5,7-8,11,15-16,18H,4,6,9-10,12H2,1-3H3
InChIKeyDJYIPMROHZEZIU-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-3-[[1-(oxolan-2-yl)propylamino]methyl]benzamide 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

2-fluoro-5-[[1-(oxolan-2-yl)propylamino]methyl]benzonitrile
CID 75521397
3-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-N,N-dimethylbenzamide
CID 75521406
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
1-[(1R)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea
CID 99840951
1-[(1S)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea
CID 99840950
1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 115768543
N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208430
3-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N-dimethylbenzamide
CID 86789732
3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide
CID 49435339
3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-N,N-dimethylbenzamide
CID 75504863
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride
CID 119287449
3-[(1-cyclobutylethylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 75382929

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[1-(oxolan-2-yl)propylamino]methyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[[1-(oxolan-2-yl)propylamino]methyl]benzamide (CID 75521396) is N,N-dimethyl-3-[[1-(oxolan-2-yl)propylamino]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[1-(oxolan-2-yl)propylamino]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[1-(oxolan-2-yl)propylamino]methyl]benzamide is CCC(NCc1cccc(C(=O)N(C)C)c1)C1CCCO1.
What is the InChIKey of N,N-dimethyl-3-[[1-(oxolan-2-yl)propylamino]methyl]benzamide?
The InChIKey is DJYIPMROHZEZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-15(16-9-6-10-21-16)18-12-13-7-5-8-14(11-13)17(20)19(2)3/h5,7-8,11,15-16,18H,4,6,9-10,12H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[[1-(oxolan-2-yl)propylamino]methyl]benzamide?
N,N-dimethyl-3-[[1-(oxolan-2-yl)propylamino]methyl]benzamide has a molecular weight of 290.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[1-(oxolan-2-yl)propylamino]methyl]benzamide is sourced from PubChem (CID 75521396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).