N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide

C17H20N2O — CID 63120465

IUPACN-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(N)c2ccccc2)cc1C
InChIInChI=1S/C17H20N2O/c1-12-8-9-15(10-13(12)2)17(20)19-11-16(18)14-6-4-3-5-7-14/h3-10,16H,11,18H2,1-2H3,(H,19,20)
InChIKeyPQMPUUXARZKRMF-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.73
Rot. Bonds4

About N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide

N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide (PubChem CID 63120465) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide
PubChem CID63120465
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(N)c2ccccc2)cc1C
InChIInChI=1S/C17H20N2O/c1-12-8-9-15(10-13(12)2)17(20)19-11-16(18)14-6-4-3-5-7-14/h3-10,16H,11,18H2,1-2H3,(H,19,20)
InChIKeyPQMPUUXARZKRMF-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide
CID 63120380
N-benzhydryl-3,4-dimethylbenzamide
CID 1219840
N-(2-amino-2-phenylethyl)-4-methylsulfanylbenzamide
CID 79217340
N-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide
CID 80507148
N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide
CID 103806531
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
N-(2-amino-3-ethylpentyl)-3,4-dimethylbenzamide
CID 106285997
3,4-dimethyl-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 7534879
3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
CID 133160183
N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 26796426
3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide
CID 51213384
N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide
CID 119528578

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide (CID 63120465) is N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(N)c2ccccc2)cc1C.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide?
The InChIKey is PQMPUUXARZKRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-8-9-15(10-13(12)2)17(20)19-11-16(18)14-6-4-3-5-7-14/h3-10,16H,11,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide?
N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide has a molecular weight of 268.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide is sourced from PubChem (CID 63120465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).