N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide

C18H22N2O — CID 2421982

IUPACN-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)c1
InChIInChI=1S/C18H22N2O/c1-14-8-7-11-16(12-14)18(21)19-13-17(20(2)3)15-9-5-4-6-10-15/h4-12,17H,13H2,1-3H3,(H,19,21)/t17-/m0/s1
InChIKeyYBPZGFDMMKGDBH-KRWDZBQOSA-N
MW282.39 g/mol
LogP3.03
Rot. Bonds5

About N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide

N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide (PubChem CID 2421982) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
PubChem CID2421982
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)c1
InChIInChI=1S/C18H22N2O/c1-14-8-7-11-16(12-14)18(21)19-13-17(20(2)3)15-9-5-4-6-10-15/h4-12,17H,13H2,1-3H3,(H,19,21)/t17-/m0/s1
InChIKeyYBPZGFDMMKGDBH-KRWDZBQOSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
3-(dimethylamino)-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 42891486
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 27230301
3-acetamido-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 42910974
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(3-methylphenyl)acetamide
CID 41453338
N-[2-(dimethylamino)-2-phenylethyl]-3-pyrrol-1-ylbenzamide
CID 110301921
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide
CID 26834391
N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95191423
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95191422
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide
CID 90490695
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25391329

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide (CID 2421982) is N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide is Cc1cccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)c1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide?
The InChIKey is YBPZGFDMMKGDBH-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-8-7-11-16(12-14)18(21)19-13-17(20(2)3)15-9-5-4-6-10-15/h4-12,17H,13H2,1-3H3,(H,19,21)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide?
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide is sourced from PubChem (CID 2421982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).