N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide

C14H21NO3 — CID 82829511

IUPACN-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
SMILESCCN(CC(C)(C)O)C(=O)c1cccc(O)c1C
InChIInChI=1S/C14H21NO3/c1-5-15(9-14(3,4)18)13(17)11-7-6-8-12(16)10(11)2/h6-8,16,18H,5,9H2,1-4H3
InChIKeyKCWHABDYKAVZKU-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.93
Rot. Bonds4

About N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide

N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide (PubChem CID 82829511) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
PubChem CID82829511
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
SMILESCCN(CC(C)(C)O)C(=O)c1cccc(O)c1C
InChIInChI=1S/C14H21NO3/c1-5-15(9-14(3,4)18)13(17)11-7-6-8-12(16)10(11)2/h6-8,16,18H,5,9H2,1-4H3
InChIKeyKCWHABDYKAVZKU-UHFFFAOYSA-N
XLogP1.93
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 107097824
N-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 82830028
N-(cyclopropylmethyl)-N-ethyl-3-hydroxy-2-methylbenzamide
CID 82829503
N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxy-2-methylbenzamide
CID 102978926
N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 81443183
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-2-methylbenzamide
CID 82795366
N-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79377923
N-[(4-aminophenyl)methyl]-N-ethyl-3-hydroxy-2-methylbenzamide
CID 82809597
N,N-diethyl-2,3-dihydroxybenzamide
CID 15178612
2-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)furan-3-carboxamide
CID 106854125
N-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107493496
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(propan-2-ylamino)benzamide
CID 79378834

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide?
The IUPAC name of N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide (CID 82829511) is N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide.
What is the SMILES notation for N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide?
The canonical SMILES for N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide is CCN(CC(C)(C)O)C(=O)c1cccc(O)c1C.
What is the InChIKey of N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide?
The InChIKey is KCWHABDYKAVZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-15(9-14(3,4)18)13(17)11-7-6-8-12(16)10(11)2/h6-8,16,18H,5,9H2,1-4H3.
What are the key properties of N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide?
N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide has a molecular weight of 251.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide is sourced from PubChem (CID 82829511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).