4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide

C22H30N2O2 — CID 31322515

IUPAC4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1[C@@H](CNC(=O)c1ccc(C(C)(C)C)cc1)N(C)C
InChIInChI=1S/C22H30N2O2/c1-22(2,3)17-13-11-16(12-14-17)21(25)23-15-19(24(4)5)18-9-7-8-10-20(18)26-6/h7-14,19H,15H2,1-6H3,(H,23,25)/t19-/m1/s1
InChIKeyKGSFLHCDQRMGJZ-LJQANCHMSA-N
MW354.49 g/mol
LogP4.03
Rot. Bonds6

About 4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide

4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide (PubChem CID 31322515) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
PubChem CID31322515
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1[C@@H](CNC(=O)c1ccc(C(C)(C)C)cc1)N(C)C
InChIInChI=1S/C22H30N2O2/c1-22(2,3)17-13-11-16(12-14-17)21(25)23-15-19(24(4)5)18-9-7-8-10-20(18)26-6/h7-14,19H,15H2,1-6H3,(H,23,25)/t19-/m1/s1
InChIKeyKGSFLHCDQRMGJZ-LJQANCHMSA-N
XLogP4.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
4-cyano-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 26750941
4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 45001444
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 55350130
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 31322613
4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 55521571
3,4-dichloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 17458646
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methyl-2-phenylpropanamide
CID 134057259
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985226
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 78799517
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-ethoxypyridine-3-carboxamide
CID 87002114
4-(butan-2-ylsulfamoyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 46522380

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide (CID 31322515) is 4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide is COc1ccccc1[C@@H](CNC(=O)c1ccc(C(C)(C)C)cc1)N(C)C.
What is the InChIKey of 4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide?
The InChIKey is KGSFLHCDQRMGJZ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-22(2,3)17-13-11-16(12-14-17)21(25)23-15-19(24(4)5)18-9-7-8-10-20(18)26-6/h7-14,19H,15H2,1-6H3,(H,23,25)/t19-/m1/s1.
What are the key properties of 4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide?
4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide has a molecular weight of 354.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 31322515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).