N-[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]-2-(3-methoxy-4-methylphenyl)acetamide

C17H25NO3 — CID 97006375

IUPACN-[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]-2-(3-methoxy-4-methylphenyl)acetamide
SMILESCOc1cc(CC(=O)N[C@H]2CCC[C@]2(C)CO)ccc1C
InChIInChI=1S/C17H25NO3/c1-12-6-7-13(9-14(12)21-3)10-16(20)18-15-5-4-8-17(15,2)11-19/h6-7,9,15,19H,4-5,8,10-11H2,1-3H3,(H,18,20)/t15-,17+/m0/s1
InChIKeyXZZGPSJZOMEICJ-DOTOQJQBSA-N
MW291.39 g/mol
LogP2.21
Rot. Bonds5

About N-[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]-2-(3-methoxy-4-methylphenyl)acetamide

N-[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]-2-(3-methoxy-4-methylphenyl)acetamide (PubChem CID 97006375) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]-2-(3-methoxy-4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]-2-(3-methoxy-4-methylphenyl)acetamide
PubChem CID97006375
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]-2-(3-methoxy-4-methylphenyl)acetamide
SMILESCOc1cc(CC(=O)N[C@H]2CCC[C@]2(C)CO)ccc1C
InChIInChI=1S/C17H25NO3/c1-12-6-7-13(9-14(12)21-3)10-16(20)18-15-5-4-8-17(15,2)11-19/h6-7,9,15,19H,4-5,8,10-11H2,1-3H3,(H,18,20)/t15-,17+/m0/s1
InChIKeyXZZGPSJZOMEICJ-DOTOQJQBSA-N
XLogP2.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(3-methoxyphenyl)methyl]urea
CID 111486882
N-(3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 71937714
[2-[(2-methoxyphenyl)methylamino]-1-methylcyclopentyl]methanol
CID 111468885
1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473192
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 65113958
3-cyclopropyl-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid
CID 81368722
[2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-1-methylcyclopentyl]methanol
CID 111468980
2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 146135252
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
(2R)-4-hydroxy-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid
CID 107822772
N-(4,4-difluorocyclohexyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 121194081
1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473081

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]-2-(3-methoxy-4-methylphenyl)acetamide?
The IUPAC name of N-[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]-2-(3-methoxy-4-methylphenyl)acetamide (CID 97006375) is N-[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]-2-(3-methoxy-4-methylphenyl)acetamide.
What is the SMILES notation for N-[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]-2-(3-methoxy-4-methylphenyl)acetamide?
The canonical SMILES for N-[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]-2-(3-methoxy-4-methylphenyl)acetamide is COc1cc(CC(=O)N[C@H]2CCC[C@]2(C)CO)ccc1C.
What is the InChIKey of N-[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]-2-(3-methoxy-4-methylphenyl)acetamide?
The InChIKey is XZZGPSJZOMEICJ-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12-6-7-13(9-14(12)21-3)10-16(20)18-15-5-4-8-17(15,2)11-19/h6-7,9,15,19H,4-5,8,10-11H2,1-3H3,(H,18,20)/t15-,17+/m0/s1.
What are the key properties of N-[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]-2-(3-methoxy-4-methylphenyl)acetamide?
N-[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]-2-(3-methoxy-4-methylphenyl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]-2-(3-methoxy-4-methylphenyl)acetamide is sourced from PubChem (CID 97006375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).