4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide

C16H25NO2 — CID 95984599

IUPAC4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide
SMILESCCc1ccc(C(=O)NCC[C@@H](O)C(C)(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-5-12-6-8-13(9-7-12)15(19)17-11-10-14(18)16(2,3)4/h6-9,14,18H,5,10-11H2,1-4H3,(H,17,19)/t14-/m1/s1
InChIKeyQAWJRQHCTVQPKM-CQSZACIVSA-N
MW263.38 g/mol
LogP2.78
Rot. Bonds5

About 4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide

4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide (PubChem CID 95984599) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide
PubChem CID95984599
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide
SMILESCCc1ccc(C(=O)NCC[C@@H](O)C(C)(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-5-12-6-8-13(9-7-12)15(19)17-11-10-14(18)16(2,3)4/h6-9,14,18H,5,10-11H2,1-4H3,(H,17,19)/t14-/m1/s1
InChIKeyQAWJRQHCTVQPKM-CQSZACIVSA-N
XLogP2.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 90523327
N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide
CID 71787595
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]pyridine-4-carboxamide
CID 95740949
N-[(3S)-3-hydroxy-4,4-dimethylpentyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 95741014
3,4-diethoxy-N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 90523428
ethane;4-ethyl-N-propylbenzamide
CID 142831348
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
2-(4-fluorophenyl)-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]acetamide
CID 95741027
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912
4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119499870
4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide
CID 121132069
N-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide
CID 90523388

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide?
The IUPAC name of 4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide (CID 95984599) is 4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide?
The canonical SMILES for 4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide is CCc1ccc(C(=O)NCC[C@@H](O)C(C)(C)C)cc1.
What is the InChIKey of 4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide?
The InChIKey is QAWJRQHCTVQPKM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-12-6-8-13(9-7-12)15(19)17-11-10-14(18)16(2,3)4/h6-9,14,18H,5,10-11H2,1-4H3,(H,17,19)/t14-/m1/s1.
What are the key properties of 4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide?
4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide has a molecular weight of 263.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide is sourced from PubChem (CID 95984599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).