N-[1-(dimethylamino)propan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide

C22H30N2O — CID 70821312

IUPACN-[1-(dimethylamino)propan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide
SMILESCC(C)Cc1cccc(-c2cccc(C(=O)NC(C)CN(C)C)c2)c1
InChIInChI=1S/C22H30N2O/c1-16(2)12-18-8-6-9-19(13-18)20-10-7-11-21(14-20)22(25)23-17(3)15-24(4)5/h6-11,13-14,16-17H,12,15H2,1-5H3,(H,23,25)
InChIKeyIIQHWXPKTPRJFT-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.23
Rot. Bonds7

About N-[1-(dimethylamino)propan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide

N-[1-(dimethylamino)propan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide (PubChem CID 70821312) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide
PubChem CID70821312
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide
SMILESCC(C)Cc1cccc(-c2cccc(C(=O)NC(C)CN(C)C)c2)c1
InChIInChI=1S/C22H30N2O/c1-16(2)12-18-8-6-9-19(13-18)20-10-7-11-21(14-20)22(25)23-17(3)15-24(4)5/h6-11,13-14,16-17H,12,15H2,1-5H3,(H,23,25)
InChIKeyIIQHWXPKTPRJFT-UHFFFAOYSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(dimethylamino)propan-2-yl]-3-[3-(2-methylpropyl)phenyl]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

N-[(2S)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide
CID 58597716
3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide
CID 177345259
3-[6-amino-5-(3-methoxyphenyl)-3-pyridinyl]-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 58238282
N,3-bis(2-methylpropyl)benzamide
CID 176945198
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
N-[(2R)-1-(dimethylamino)-4-phenylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide
CID 58597740
3-(3-ethylphenyl)-N-[(2S)-1-(4-ethylpiperazin-1-yl)propan-2-yl]benzamide
CID 156752452
3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 107953084
3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 107999622
N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride
CID 172776403
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 82945495
3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 62592624

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide (CID 70821312) is N-[1-(dimethylamino)propan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide is CC(C)Cc1cccc(-c2cccc(C(=O)NC(C)CN(C)C)c2)c1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide?
The InChIKey is IIQHWXPKTPRJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-16(2)12-18-8-6-9-19(13-18)20-10-7-11-21(14-20)22(25)23-17(3)15-24(4)5/h6-11,13-14,16-17H,12,15H2,1-5H3,(H,23,25).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide?
N-[1-(dimethylamino)propan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide has a molecular weight of 338.50 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide is sourced from PubChem (CID 70821312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).