N-(2-cyclopropyl-2-hydroxyethyl)-2,3,4,5,6-pentamethylbenzamide

C17H25NO2 — CID 63294856

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-2,3,4,5,6-pentamethylbenzamide
SMILESCc1c(C)c(C)c(C(=O)NCC(O)C2CC2)c(C)c1C
InChIInChI=1S/C17H25NO2/c1-9-10(2)12(4)16(13(5)11(9)3)17(20)18-8-15(19)14-6-7-14/h14-15,19H,6-8H2,1-5H3,(H,18,20)
InChIKeyMJEVIKSMYJZBFA-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.73
Rot. Bonds4

About N-(2-cyclopropyl-2-hydroxyethyl)-2,3,4,5,6-pentamethylbenzamide

N-(2-cyclopropyl-2-hydroxyethyl)-2,3,4,5,6-pentamethylbenzamide (PubChem CID 63294856) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-2,3,4,5,6-pentamethylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-2,3,4,5,6-pentamethylbenzamide
PubChem CID63294856
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-2,3,4,5,6-pentamethylbenzamide
SMILESCc1c(C)c(C)c(C(=O)NCC(O)C2CC2)c(C)c1C
InChIInChI=1S/C17H25NO2/c1-9-10(2)12(4)16(13(5)11(9)3)17(20)18-8-15(19)14-6-7-14/h14-15,19H,6-8H2,1-5H3,(H,18,20)
InChIKeyMJEVIKSMYJZBFA-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-cyclopropyl-2-hydroxyethyl)-2,3,4,5,6-pentamethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydroxypropyl)-2,3,4,5,6-pentamethylbenzamide
CID 66176629
N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide
CID 55172737
2-hydroxy-3-[(2,3,4,5,6-pentamethylbenzoyl)amino]propanoic acid
CID 66168135
N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylbutanamide
CID 63294520
3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide
CID 81323274
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide
CID 63294587
N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide
CID 63294170
N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide
CID 63298880
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294334
N-(2-cyclopropyl-2-hydroxyethyl)-5-ethylthiophene-2-carboxamide
CID 63298785
N-(2-cyclopentyl-2-hydroxyethyl)-5-methylthiophene-2-carboxamide
CID 111426354
N-(2-cyclopropyl-2-hydroxyethyl)furan-3-carboxamide
CID 63294562

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2,3,4,5,6-pentamethylbenzamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2,3,4,5,6-pentamethylbenzamide (CID 63294856) is N-(2-cyclopropyl-2-hydroxyethyl)-2,3,4,5,6-pentamethylbenzamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-2,3,4,5,6-pentamethylbenzamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-2,3,4,5,6-pentamethylbenzamide is Cc1c(C)c(C)c(C(=O)NCC(O)C2CC2)c(C)c1C.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-2,3,4,5,6-pentamethylbenzamide?
The InChIKey is MJEVIKSMYJZBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-9-10(2)12(4)16(13(5)11(9)3)17(20)18-8-15(19)14-6-7-14/h14-15,19H,6-8H2,1-5H3,(H,18,20).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-2,3,4,5,6-pentamethylbenzamide?
N-(2-cyclopropyl-2-hydroxyethyl)-2,3,4,5,6-pentamethylbenzamide has a molecular weight of 275.39 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-cyclopropyl-2-hydroxyethyl)-2,3,4,5,6-pentamethylbenzamide is sourced from PubChem (CID 63294856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).