N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide

C16H25NO3 — CID 111437211

IUPACN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide
SMILESCOc1cccc(C(O)CNC(=O)CCC(C)(C)C)c1
InChIInChI=1S/C16H25NO3/c1-16(2,3)9-8-15(19)17-11-14(18)12-6-5-7-13(10-12)20-4/h5-7,10,14,18H,8-9,11H2,1-4H3,(H,17,19)
InChIKeyWHCTUCZSKZVOFJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.67
Rot. Bonds6

About N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide (PubChem CID 111437211) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide
PubChem CID111437211
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide
SMILESCOc1cccc(C(O)CNC(=O)CCC(C)(C)C)c1
InChIInChI=1S/C16H25NO3/c1-16(2,3)9-8-15(19)17-11-14(18)12-6-5-7-13(10-12)20-4/h5-7,10,14,18H,8-9,11H2,1-4H3,(H,17,19)
InChIKeyWHCTUCZSKZVOFJ-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
3-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
CID 110663372
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 119765490
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(2-methylphenyl)propanamide
CID 110663371
3-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
CID 111115447
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(3,3,3-trifluoropropyl)urea
CID 111483054
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 110663377
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 111115545
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 111423701
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 111115615
1-(2-tert-butylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116768

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide?
The IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide (CID 111437211) is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide is COc1cccc(C(O)CNC(=O)CCC(C)(C)C)c1.
What is the InChIKey of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide?
The InChIKey is WHCTUCZSKZVOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-16(2,3)9-8-15(19)17-11-14(18)12-6-5-7-13(10-12)20-4/h5-7,10,14,18H,8-9,11H2,1-4H3,(H,17,19).
What are the key properties of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide?
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide has a molecular weight of 279.38 g/mol, XLogP of 2.67, 6 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-methoxyphenyl)ethyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 111437211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).