N-[2-(dimethylamino)ethyl]-N-methyl-3-(4-propan-2-ylphenyl)benzamide

C21H28N2O — CID 169277904

IUPACN-[2-(dimethylamino)ethyl]-N-methyl-3-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(-c2cccc(C(=O)N(C)CCN(C)C)c2)cc1
InChIInChI=1S/C21H28N2O/c1-16(2)17-9-11-18(12-10-17)19-7-6-8-20(15-19)21(24)23(5)14-13-22(3)4/h6-12,15-16H,13-14H2,1-5H3
InChIKeyGVQAJVNODZUYRF-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.11
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-methyl-3-(4-propan-2-ylphenyl)benzamide

N-[2-(dimethylamino)ethyl]-N-methyl-3-(4-propan-2-ylphenyl)benzamide (PubChem CID 169277904) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-methyl-3-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-methyl-3-(4-propan-2-ylphenyl)benzamide
PubChem CID169277904
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-[2-(dimethylamino)ethyl]-N-methyl-3-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(-c2cccc(C(=O)N(C)CCN(C)C)c2)cc1
InChIInChI=1S/C21H28N2O/c1-16(2)17-9-11-18(12-10-17)19-7-6-8-20(15-19)21(24)23(5)14-13-22(3)4/h6-12,15-16H,13-14H2,1-5H3
InChIKeyGVQAJVNODZUYRF-UHFFFAOYSA-N
XLogP4.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-amino-5-chloro-3-pyridinyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 122568727
1-[3-(4-propan-2-ylphenyl)phenyl]ethanone
CID 61034135
3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695423
N-ethyl-N-methyl-3-(4-methylphenyl)benzamide
CID 145356700
3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695114
N-(2-hydroxyethyl)-4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-methylbenzamide
CID 126433961
N-[2-(dimethylamino)ethyl]-3-(N'-hydroxycarbamimidoyl)-N-methylbenzamide
CID 77017462
3-N-butyl-3-N-methyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109056374
N-methyl-N-[3-(methylamino)propyl]-3-propan-2-ylbenzamide
CID 166591494
3-[4-[[(5R)-5-(4-chlorocyclohex-3-en-1-yl)-2-oxo-1,3-oxazolidin-3-yl]methyl]phenyl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 70312942
N,N-dimethyl-3-(4-methylphenyl)benzamide
CID 121373381
N-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide
CID 166591542

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-3-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-3-(4-propan-2-ylphenyl)benzamide (CID 169277904) is N-[2-(dimethylamino)ethyl]-N-methyl-3-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-methyl-3-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-methyl-3-(4-propan-2-ylphenyl)benzamide is CC(C)c1ccc(-c2cccc(C(=O)N(C)CCN(C)C)c2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-methyl-3-(4-propan-2-ylphenyl)benzamide?
The InChIKey is GVQAJVNODZUYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-16(2)17-9-11-18(12-10-17)19-7-6-8-20(15-19)21(24)23(5)14-13-22(3)4/h6-12,15-16H,13-14H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-methyl-3-(4-propan-2-ylphenyl)benzamide?
N-[2-(dimethylamino)ethyl]-N-methyl-3-(4-propan-2-ylphenyl)benzamide has a molecular weight of 324.47 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-methyl-3-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 169277904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).