N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide

C18H29NO3 — CID 111484329

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide
SMILESCC(C)COc1ccc(CC(=O)NCC(C)(O)C(C)C)cc1
InChIInChI=1S/C18H29NO3/c1-13(2)11-22-16-8-6-15(7-9-16)10-17(20)19-12-18(5,21)14(3)4/h6-9,13-14,21H,10-12H2,1-5H3,(H,19,20)
InChIKeyLWJOIOODPFOELP-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.79
Rot. Bonds8

About N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide

N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide (PubChem CID 111484329) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide
PubChem CID111484329
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide
SMILESCC(C)COc1ccc(CC(=O)NCC(C)(O)C(C)C)cc1
InChIInChI=1S/C18H29NO3/c1-13(2)11-22-16-8-6-15(7-9-16)10-17(20)19-12-18(5,21)14(3)4/h6-9,13-14,21H,10-12H2,1-5H3,(H,19,20)
InChIKeyLWJOIOODPFOELP-UHFFFAOYSA-N
XLogP2.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 119496509
N-(1-amino-2-methylpropan-2-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 119522663
N-(1-amino-2-methylpropan-2-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119522662
N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide
CID 65109847
N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119548271
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109978
2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114746
N-[(2-hydroxycyclopentyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 111471301
1-tert-butyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 110774962
ethane;1-[4-(2-methylpropoxy)phenyl]butan-2-one
CID 142534707
1,3-bis[[4-(2-methylpropoxy)phenyl]methyl]urea;ethane
CID 143580549
N-(2-hydroxy-2,3-dimethylbutyl)-2-naphthalen-2-yloxyacetamide
CID 111483554

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide (CID 111484329) is N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide is CC(C)COc1ccc(CC(=O)NCC(C)(O)C(C)C)cc1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide?
The InChIKey is LWJOIOODPFOELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-13(2)11-22-16-8-6-15(7-9-16)10-17(20)19-12-18(5,21)14(3)4/h6-9,13-14,21H,10-12H2,1-5H3,(H,19,20).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide?
N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide has a molecular weight of 307.43 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide is sourced from PubChem (CID 111484329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).