N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide

C18H22N2O — CID 19811110

IUPACN-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide
SMILESCN(C)Cc1ccccc1CCNC(=O)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-20(2)14-17-11-7-6-8-15(17)12-13-19-18(21)16-9-4-3-5-10-16/h3-11H,12-14H2,1-2H3,(H,19,21)
InChIKeySCXPKOQGPFWTFT-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.72
Rot. Bonds6

About N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide

N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide (PubChem CID 19811110) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide
PubChem CID19811110
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide
SMILESCN(C)Cc1ccccc1CCNC(=O)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-20(2)14-17-11-7-6-8-15(17)12-13-19-18(21)16-9-4-3-5-10-16/h3-11H,12-14H2,1-2H3,(H,19,21)
InChIKeySCXPKOQGPFWTFT-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide?
The IUPAC name of N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide (CID 19811110) is N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide.
What is the SMILES notation for N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide?
The canonical SMILES for N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide is CN(C)Cc1ccccc1CCNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide?
The InChIKey is SCXPKOQGPFWTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-20(2)14-17-11-7-6-8-15(17)12-13-19-18(21)16-9-4-3-5-10-16/h3-11H,12-14H2,1-2H3,(H,19,21).
What are the key properties of N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide?
N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide has a molecular weight of 282.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide is sourced from PubChem (CID 19811110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).