N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide

C16H25NO3 — CID 166023701

IUPACN-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide
SMILESCOc1c(C(=O)NCCC(C)(C)O)cccc1C(C)C
InChIInChI=1S/C16H25NO3/c1-11(2)12-7-6-8-13(14(12)20-5)15(18)17-10-9-16(3,4)19/h6-8,11,19H,9-10H2,1-5H3,(H,17,18)
InChIKeyAYDKBKWMCGAMOE-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.71
Rot. Bonds6

About N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide

N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide (PubChem CID 166023701) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide
PubChem CID166023701
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide
SMILESCOc1c(C(=O)NCCC(C)(C)O)cccc1C(C)C
InChIInChI=1S/C16H25NO3/c1-11(2)12-7-6-8-13(14(12)20-5)15(18)17-10-9-16(3,4)19/h6-8,11,19H,9-10H2,1-5H3,(H,17,18)
InChIKeyAYDKBKWMCGAMOE-UHFFFAOYSA-N
XLogP2.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide
CID 166023698
N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide
CID 118462789
N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide
CID 65110006
2-methoxy-3-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 17101838
tert-butyl N-[3-[(3-amino-2-methoxybenzoyl)amino]propyl]carbamate
CID 104932608
2-hydroxy-N-pentyl-3-propan-2-ylbenzamide
CID 70943726
N-(6-bromohexyl)-2,3-dimethoxybenzamide
CID 107847510
3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide
CID 107316263
N-(3-iodopropyl)-2,3-dimethoxybenzamide
CID 114504514
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119630210
3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide
CID 107211143

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide?
The IUPAC name of N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide (CID 166023701) is N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide?
The canonical SMILES for N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide is COc1c(C(=O)NCCC(C)(C)O)cccc1C(C)C.
What is the InChIKey of N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide?
The InChIKey is AYDKBKWMCGAMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11(2)12-7-6-8-13(14(12)20-5)15(18)17-10-9-16(3,4)19/h6-8,11,19H,9-10H2,1-5H3,(H,17,18).
What are the key properties of N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide?
N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide has a molecular weight of 279.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide is sourced from PubChem (CID 166023701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).