3,4-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide

C18H22N2O — CID 43507770

IUPAC3,4-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide
SMILESCNC(C)c1cccc(NC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H22N2O/c1-12-8-9-16(10-13(12)2)18(21)20-17-7-5-6-15(11-17)14(3)19-4/h5-11,14,19H,1-4H3,(H,20,21)
InChIKeyGKMQNVXPFQWCPA-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.84
Rot. Bonds4

About 3,4-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide

3,4-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide (PubChem CID 43507770) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3,4-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide
PubChem CID43507770
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3,4-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide
SMILESCNC(C)c1cccc(NC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H22N2O/c1-12-8-9-16(10-13(12)2)18(21)20-17-7-5-6-15(11-17)14(3)19-4/h5-11,14,19H,1-4H3,(H,20,21)
InChIKeyGKMQNVXPFQWCPA-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

4-hydroxy-3-methyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide
CID 107675620
2,3-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507775
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507738
3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
CID 91676950
2,4,5-trimethyl-N-[3-[1-(methylamino)ethyl]phenyl]furan-3-carboxamide
CID 65151530
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]furan-3-carboxamide
CID 43507800
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507778
N-[3-(1-hydroxyethyl)phenyl]-4-methyl-3-nitrobenzamide
CID 4099768
3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 893199
N-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide
CID 112988131
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide (CID 43507770) is 3,4-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide is CNC(C)c1cccc(NC(=O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of 3,4-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide?
The InChIKey is GKMQNVXPFQWCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-8-9-16(10-13(12)2)18(21)20-17-7-5-6-15(11-17)14(3)19-4/h5-11,14,19H,1-4H3,(H,20,21).
What are the key properties of 3,4-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide?
3,4-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 3,4-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide is sourced from PubChem (CID 43507770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).