N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N,3,5-trimethylbenzamide

C15H21NO2 — CID 97003578

IUPACN-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N,3,5-trimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N(C)C[C@@H](O)C2CC2)c1
InChIInChI=1S/C15H21NO2/c1-10-6-11(2)8-13(7-10)15(18)16(3)9-14(17)12-4-5-12/h6-8,12,14,17H,4-5,9H2,1-3H3/t14-/m1/s1
InChIKeyZIYSKIOVSSUGMA-CQSZACIVSA-N
MW247.34 g/mol
LogP2.15
Rot. Bonds4

About N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N,3,5-trimethylbenzamide

N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N,3,5-trimethylbenzamide (PubChem CID 97003578) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N,3,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N,3,5-trimethylbenzamide
PubChem CID97003578
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N,3,5-trimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N(C)C[C@@H](O)C2CC2)c1
InChIInChI=1S/C15H21NO2/c1-10-6-11(2)8-13(7-10)15(18)16(3)9-14(17)12-4-5-12/h6-8,12,14,17H,4-5,9H2,1-3H3/t14-/m1/s1
InChIKeyZIYSKIOVSSUGMA-CQSZACIVSA-N
XLogP2.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopropyl-2-hydroxyethyl)-3-hydroxy-N,4-dimethylbenzamide
CID 110016170
N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide
CID 55172737
methyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate
CID 55007974
1-(2-cyclopropyl-2-hydroxyethyl)-3-(3,5-dichlorophenyl)-1-methylurea
CID 111859033
3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide
CID 81323274
N-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide
CID 102872881
N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide
CID 54993921
2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 43655080
N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 63755882
(E)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 167856435
N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927
N,3,5-trimethyl-N-piperidin-4-ylbenzamide
CID 43602069

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N,3,5-trimethylbenzamide?
The IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N,3,5-trimethylbenzamide (CID 97003578) is N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N,3,5-trimethylbenzamide.
What is the SMILES notation for N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N,3,5-trimethylbenzamide?
The canonical SMILES for N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N,3,5-trimethylbenzamide is Cc1cc(C)cc(C(=O)N(C)C[C@@H](O)C2CC2)c1.
What is the InChIKey of N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N,3,5-trimethylbenzamide?
The InChIKey is ZIYSKIOVSSUGMA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-6-11(2)8-13(7-10)15(18)16(3)9-14(17)12-4-5-12/h6-8,12,14,17H,4-5,9H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N,3,5-trimethylbenzamide?
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N,3,5-trimethylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N,3,5-trimethylbenzamide is sourced from PubChem (CID 97003578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).