N-[1-(hydroxymethyl)cyclohexyl]-2-(2-phenylethylsulfanyl)acetamide

C17H25NO2S — CID 62521811

IUPACN-[1-(hydroxymethyl)cyclohexyl]-2-(2-phenylethylsulfanyl)acetamide
SMILESO=C(CSCCc1ccccc1)NC1(CO)CCCCC1
InChIInChI=1S/C17H25NO2S/c19-14-17(10-5-2-6-11-17)18-16(20)13-21-12-9-15-7-3-1-4-8-15/h1,3-4,7-8,19H,2,5-6,9-14H2,(H,18,20)
InChIKeyGMTMGGQDUIVCAV-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.77
Rot. Bonds7

About N-[1-(hydroxymethyl)cyclohexyl]-2-(2-phenylethylsulfanyl)acetamide

N-[1-(hydroxymethyl)cyclohexyl]-2-(2-phenylethylsulfanyl)acetamide (PubChem CID 62521811) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-2-(2-phenylethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-2-(2-phenylethylsulfanyl)acetamide
PubChem CID62521811
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-2-(2-phenylethylsulfanyl)acetamide
SMILESO=C(CSCCc1ccccc1)NC1(CO)CCCCC1
InChIInChI=1S/C17H25NO2S/c19-14-17(10-5-2-6-11-17)18-16(20)13-21-12-9-15-7-3-1-4-8-15/h1,3-4,7-8,19H,2,5-6,9-14H2,(H,18,20)
InChIKeyGMTMGGQDUIVCAV-UHFFFAOYSA-N
XLogP2.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(hydroxymethyl)cyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 62520044
2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62518929
2-(cyanomethylsulfanyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62520946
(2S)-2-amino-N-[1-(hydroxymethyl)cyclopentyl]-4-phenylbutanamide
CID 104984321
N-(1-benzylcyclohexyl)-2-phenylacetamide
CID 84509764
N-[1-(chloromethyl)cyclopentyl]-3-phenylpropanamide
CID 114300597
N'-[1-(hydroxymethyl)cyclopentyl]-N-(3-phenylpropyl)oxamide
CID 110008529
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418
2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
CID 64671959
2-(2-aminophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62526209
1-[(2-benzylsulfanylacetyl)amino]cyclobutane-1-carboxylic acid
CID 81158714
2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide
CID 62553374

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-(2-phenylethylsulfanyl)acetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-(2-phenylethylsulfanyl)acetamide (CID 62521811) is N-[1-(hydroxymethyl)cyclohexyl]-2-(2-phenylethylsulfanyl)acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-2-(2-phenylethylsulfanyl)acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-2-(2-phenylethylsulfanyl)acetamide is O=C(CSCCc1ccccc1)NC1(CO)CCCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-2-(2-phenylethylsulfanyl)acetamide?
The InChIKey is GMTMGGQDUIVCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c19-14-17(10-5-2-6-11-17)18-16(20)13-21-12-9-15-7-3-1-4-8-15/h1,3-4,7-8,19H,2,5-6,9-14H2,(H,18,20).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-2-(2-phenylethylsulfanyl)acetamide?
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-phenylethylsulfanyl)acetamide has a molecular weight of 307.46 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-2-(2-phenylethylsulfanyl)acetamide is sourced from PubChem (CID 62521811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).