N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide

C17H27NO3 — CID 111859493

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-7-18(12-17(5,6)20)15(19)13-8-10-14(11-9-13)21-16(2,3)4/h8-11,20H,7,12H2,1-6H3
InChIKeyNLUWYUWYQQYFRC-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.10
Rot. Bonds5

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide (PubChem CID 111859493) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
PubChem CID111859493
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-7-18(12-17(5,6)20)15(19)13-8-10-14(11-9-13)21-16(2,3)4/h8-11,20H,7,12H2,1-6H3
InChIKeyNLUWYUWYQQYFRC-UHFFFAOYSA-N
XLogP3.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79384782
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,5-dimethoxybenzamide
CID 79387015
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 111596763
N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-phenoxypyridine-3-carboxamide
CID 111596072
4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethylbenzamide
CID 58586309
3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103842867
[4-(diethylcarbamoyl)phenyl] acetate
CID 683590
2-(4-carbamothioylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79378440
N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide
CID 79386429
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999143
N-[(2S)-2-cyanopropyl]-N-ethyl-4-(trifluoromethoxy)benzamide
CID 94810071
N,N-diethyl-4-(2-methoxyethoxy)benzamide
CID 17353475

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide (CID 111859493) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide is CCN(CC(C)(C)O)C(=O)c1ccc(OC(C)(C)C)cc1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide?
The InChIKey is NLUWYUWYQQYFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-7-18(12-17(5,6)20)15(19)13-8-10-14(11-9-13)21-16(2,3)4/h8-11,20H,7,12H2,1-6H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide has a molecular weight of 293.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide is sourced from PubChem (CID 111859493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).