N-[4-[2-(dimethylamino)acetyl]phenyl]-2-methylbenzamide

C18H20N2O2 — CID 170896427

IUPACN-[4-[2-(dimethylamino)acetyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)CN(C)C)cc1
InChIInChI=1S/C18H20N2O2/c1-13-6-4-5-7-16(13)18(22)19-15-10-8-14(9-11-15)17(21)12-20(2)3/h4-11H,12H2,1-3H3,(H,19,22)
InChIKeyXMJMLDRQZZJJAW-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.99
Rot. Bonds5

About N-[4-[2-(dimethylamino)acetyl]phenyl]-2-methylbenzamide

N-[4-[2-(dimethylamino)acetyl]phenyl]-2-methylbenzamide (PubChem CID 170896427) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)acetyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)acetyl]phenyl]-2-methylbenzamide
PubChem CID170896427
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[4-[2-(dimethylamino)acetyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)CN(C)C)cc1
InChIInChI=1S/C18H20N2O2/c1-13-6-4-5-7-16(13)18(22)19-15-10-8-14(9-11-15)17(21)12-20(2)3/h4-11H,12H2,1-3H3,(H,19,22)
InChIKeyXMJMLDRQZZJJAW-UHFFFAOYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
N-[4-(ethylcarbamoyl)phenyl]-2-methylbenzamide
CID 17234252
N-(4-carbamothioylphenyl)-2-methylbenzamide
CID 24709642
2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide
CID 17251498
2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride
CID 178200159
2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352
N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 1243669
N-[4-[2-(4-bromophenyl)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22781193
2-methyl-N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]benzamide
CID 17251708
N-[4-[butyl(methyl)amino]phenyl]-2-methylbenzamide
CID 112985297
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-methylbenzamide
CID 46760313
N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide
CID 28754642

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)acetyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[2-(dimethylamino)acetyl]phenyl]-2-methylbenzamide (CID 170896427) is N-[4-[2-(dimethylamino)acetyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)acetyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[2-(dimethylamino)acetyl]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(C(=O)CN(C)C)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)acetyl]phenyl]-2-methylbenzamide?
The InChIKey is XMJMLDRQZZJJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-6-4-5-7-16(13)18(22)19-15-10-8-14(9-11-15)17(21)12-20(2)3/h4-11H,12H2,1-3H3,(H,19,22).
What are the key properties of N-[4-[2-(dimethylamino)acetyl]phenyl]-2-methylbenzamide?
N-[4-[2-(dimethylamino)acetyl]phenyl]-2-methylbenzamide has a molecular weight of 296.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)acetyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 170896427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).