2-(2-methoxyphenyl)-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]acetamide

C18H27NO3 — CID 51948594

IUPAC2-(2-methoxyphenyl)-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]acetamide
SMILESCOc1ccccc1CC(=O)NCCO[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C18H27NO3/c1-14-7-3-5-9-16(14)22-12-11-19-18(20)13-15-8-4-6-10-17(15)21-2/h4,6,8,10,14,16H,3,5,7,9,11-13H2,1-2H3,(H,19,20)/t14-,16+/m0/s1
InChIKeyGYOSCSSDOJXNPH-GOEBONIOSA-N
MW305.42 g/mol
LogP2.95
Rot. Bonds7

About 2-(2-methoxyphenyl)-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]acetamide

2-(2-methoxyphenyl)-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]acetamide (PubChem CID 51948594) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]acetamide
PubChem CID51948594
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-(2-methoxyphenyl)-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]acetamide
SMILESCOc1ccccc1CC(=O)NCCO[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C18H27NO3/c1-14-7-3-5-9-16(14)22-12-11-19-18(20)13-15-8-4-6-10-17(15)21-2/h4,6,8,10,14,16H,3,5,7,9,11-13H2,1-2H3,(H,19,20)/t14-,16+/m0/s1
InChIKeyGYOSCSSDOJXNPH-GOEBONIOSA-N
XLogP2.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxy-2-pyridinyl)-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]acetamide
CID 124738201
N-[2-(2-methylcyclohexyl)oxyethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 47036325
1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea
CID 47034652
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
N-[2-(2-chloroethoxy)ethyl]-2-(2-methoxyphenyl)acetamide
CID 113271840
N-[2-(4-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18119172
6-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyridine-2-carboxamide
CID 51948701
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
N-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide
CID 124605769
2-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60895170
2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947454
2-(2-methoxyphenyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]acetamide
CID 124749520

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]acetamide (CID 51948594) is 2-(2-methoxyphenyl)-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]acetamide is COc1ccccc1CC(=O)NCCO[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]acetamide?
The InChIKey is GYOSCSSDOJXNPH-GOEBONIOSA-N. The full InChI is InChI=1S/C18H27NO3/c1-14-7-3-5-9-16(14)22-12-11-19-18(20)13-15-8-4-6-10-17(15)21-2/h4,6,8,10,14,16H,3,5,7,9,11-13H2,1-2H3,(H,19,20)/t14-,16+/m0/s1.
What are the key properties of 2-(2-methoxyphenyl)-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]acetamide?
2-(2-methoxyphenyl)-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]acetamide is sourced from PubChem (CID 51948594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).