2,3-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide

C18H22N2O — CID 43507775

IUPAC2,3-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide
SMILESCNC(C)c1cccc(NC(=O)c2cccc(C)c2C)c1
InChIInChI=1S/C18H22N2O/c1-12-7-5-10-17(13(12)2)18(21)20-16-9-6-8-15(11-16)14(3)19-4/h5-11,14,19H,1-4H3,(H,20,21)
InChIKeyACIKOOPKAZWERQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.84
Rot. Bonds4

About 2,3-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide

2,3-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide (PubChem CID 43507775) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2,3-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide
PubChem CID43507775
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2,3-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide
SMILESCNC(C)c1cccc(NC(=O)c2cccc(C)c2C)c1
InChIInChI=1S/C18H22N2O/c1-12-7-5-10-17(13(12)2)18(21)20-16-9-6-8-15(11-16)14(3)19-4/h5-11,14,19H,1-4H3,(H,20,21)
InChIKeyACIKOOPKAZWERQ-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]furan-3-carboxamide
CID 43507800
3,4-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507770
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
2,4,5-trimethyl-N-[3-[1-(methylamino)ethyl]phenyl]furan-3-carboxamide
CID 65151530
4-hydroxy-3-methyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide
CID 107675620
N-(3-aminophenyl)-2,3-dimethylbenzamide
CID 16789314
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507738
N-(3,4-dimethylphenyl)-2,3-dimethylbenzamide
CID 26593883
N-[3-(1-aminoethyl)phenyl]-2-methylbenzamide
CID 16788845
N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide
CID 846043
2,3-dimethyl-N-pyridin-4-ylbenzamide
CID 27700072
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507778

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide?
The IUPAC name of 2,3-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide (CID 43507775) is 2,3-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide.
What is the SMILES notation for 2,3-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide?
The canonical SMILES for 2,3-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide is CNC(C)c1cccc(NC(=O)c2cccc(C)c2C)c1.
What is the InChIKey of 2,3-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide?
The InChIKey is ACIKOOPKAZWERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-7-5-10-17(13(12)2)18(21)20-16-9-6-8-15(11-16)14(3)19-4/h5-11,14,19H,1-4H3,(H,20,21).
What are the key properties of 2,3-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide?
2,3-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide is sourced from PubChem (CID 43507775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).