N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide

C14H19NO2 — CID 55172737

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(O)C2CC2)c1
InChIInChI=1S/C14H19NO2/c1-9-5-10(2)7-12(6-9)14(17)15-8-13(16)11-3-4-11/h5-7,11,13,16H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyVQZYJNMJDZEISV-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.80
Rot. Bonds4

About N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide

N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide (PubChem CID 55172737) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide
PubChem CID55172737
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(O)C2CC2)c1
InChIInChI=1S/C14H19NO2/c1-9-5-10(2)7-12(6-9)14(17)15-8-13(16)11-3-4-11/h5-7,11,13,16H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyVQZYJNMJDZEISV-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide (CID 55172737) is N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC(O)C2CC2)c1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide?
The InChIKey is VQZYJNMJDZEISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-5-10(2)7-12(6-9)14(17)15-8-13(16)11-3-4-11/h5-7,11,13,16H,3-4,8H2,1-2H3,(H,15,17).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide?
N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide has a molecular weight of 233.31 g/mol, XLogP of 1.80, 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)-3,5-dimethylbenzamide is sourced from PubChem (CID 55172737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).