N-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide

C14H21NO2 — CID 82830028

IUPACN-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
SMILESCCN(CC(C)C)C(=O)c1cccc(O)c1C
InChIInChI=1S/C14H21NO2/c1-5-15(9-10(2)3)14(17)12-7-6-8-13(16)11(12)4/h6-8,10,16H,5,9H2,1-4H3
InChIKeyROKQBNNMKMNBML-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.82
Rot. Bonds4

About N-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide

N-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide (PubChem CID 82830028) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
PubChem CID82830028
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
SMILESCCN(CC(C)C)C(=O)c1cccc(O)c1C
InChIInChI=1S/C14H21NO2/c1-5-15(9-10(2)3)14(17)12-7-6-8-13(16)11(12)4/h6-8,10,16H,5,9H2,1-4H3
InChIKeyROKQBNNMKMNBML-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 82829732
3-hydroxy-N,2-dimethyl-N-(2-methylpropyl)benzamide
CID 82829951
N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 82829511
N-(cyclopropylmethyl)-N-ethyl-3-hydroxy-2-methylbenzamide
CID 82829503
N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxy-2-methylbenzamide
CID 102978926
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-2-methylbenzamide
CID 82795366
3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide
CID 112574718
N-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 62648944
N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614558
N,N-diethyl-2,3-dihydroxybenzamide
CID 15178612
N-[(4-aminophenyl)methyl]-N-ethyl-3-hydroxy-2-methylbenzamide
CID 82809597
2-[(2,3-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 114343332

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of N-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide (CID 82830028) is N-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide is CCN(CC(C)C)C(=O)c1cccc(O)c1C.
What is the InChIKey of N-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is ROKQBNNMKMNBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-15(9-10(2)3)14(17)12-7-6-8-13(16)11(12)4/h6-8,10,16H,5,9H2,1-4H3.
What are the key properties of N-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide?
N-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 235.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 82830028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).