N-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide

C13H19NO2 — CID 43266066

IUPACN-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide
SMILESCCN(C(=O)c1cccc(C)c1O)C(C)C
InChIInChI=1S/C13H19NO2/c1-5-14(9(2)3)13(16)11-8-6-7-10(4)12(11)15/h6-9,15H,5H2,1-4H3
InChIKeyCERCZHSJXVTXGK-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.57
Rot. Bonds3

About N-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide

N-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide (PubChem CID 43266066) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide
PubChem CID43266066
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide
SMILESCCN(C(=O)c1cccc(C)c1O)C(C)C
InChIInChI=1S/C13H19NO2/c1-5-14(9(2)3)13(16)11-8-6-7-10(4)12(11)15/h6-9,15H,5H2,1-4H3
InChIKeyCERCZHSJXVTXGK-UHFFFAOYSA-N
XLogP2.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,3-dihydroxy-N-propan-2-ylbenzamide
CID 114343923
3-[ethyl-(2-hydroxy-3-methylbenzoyl)amino]butanoic acid
CID 62821574
N-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide
CID 104555728
2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide
CID 43430193
N-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide
CID 107689061
N-(2-bromoethyl)-N-ethyl-2-hydroxy-3-methylbenzamide
CID 80660648
N-(2-bromopropyl)-2-hydroxy-N,3-dimethylbenzamide
CID 80666341
3-[(2,3-dimethylbenzoyl)-ethylamino]butanoic acid
CID 62820337
N-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide
CID 78971076
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide
CID 66184674
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide
CID 60717668
N-butan-2-yl-2-hydroxy-3-methylbenzamide
CID 43176510

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide?
The IUPAC name of N-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide (CID 43266066) is N-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide is CCN(C(=O)c1cccc(C)c1O)C(C)C.
What is the InChIKey of N-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide?
The InChIKey is CERCZHSJXVTXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-14(9(2)3)13(16)11-8-6-7-10(4)12(11)15/h6-9,15H,5H2,1-4H3.
What are the key properties of N-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide?
N-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide has a molecular weight of 221.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 43266066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).