N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide

C22H27NO3 — CID 119048160

IUPACN-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide
SMILESCC(CO)(CNC(=O)c1ccccc1OCC1CC1)Cc1ccccc1
InChIInChI=1S/C22H27NO3/c1-22(16-24,13-17-7-3-2-4-8-17)15-23-21(25)19-9-5-6-10-20(19)26-14-18-11-12-18/h2-10,18,24H,11-16H2,1H3,(H,23,25)
InChIKeyRGGPJDYKPFWRDY-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.45
Rot. Bonds9

About N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide

N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide (PubChem CID 119048160) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide
PubChem CID119048160
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide
SMILESCC(CO)(CNC(=O)c1ccccc1OCC1CC1)Cc1ccccc1
InChIInChI=1S/C22H27NO3/c1-22(16-24,13-17-7-3-2-4-8-17)15-23-21(25)19-9-5-6-10-20(19)26-14-18-11-12-18/h2-10,18,24H,11-16H2,1H3,(H,23,25)
InChIKeyRGGPJDYKPFWRDY-UHFFFAOYSA-N
XLogP3.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-[2-(dimethylamino)ethoxy]benzamide
CID 119048184
N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 124734628
4-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]benzoic acid
CID 119165490
4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid
CID 119170749
2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458289
2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide
CID 111451224
2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944904
5-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110752
2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111925
N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
CID 113462770
ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 142472938
4-[[[2-(cyclopropylmethoxy)benzoyl]-methylamino]methyl]benzoic acid
CID 119225982

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide?
The IUPAC name of N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide (CID 119048160) is N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide.
What is the SMILES notation for N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide?
The canonical SMILES for N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide is CC(CO)(CNC(=O)c1ccccc1OCC1CC1)Cc1ccccc1.
What is the InChIKey of N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide?
The InChIKey is RGGPJDYKPFWRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-22(16-24,13-17-7-3-2-4-8-17)15-23-21(25)19-9-5-6-10-20(19)26-14-18-11-12-18/h2-10,18,24H,11-16H2,1H3,(H,23,25).
What are the key properties of N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide?
N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide has a molecular weight of 353.46 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide is sourced from PubChem (CID 119048160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).