N-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide

C17H25NO3 — CID 62365265

IUPACN-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)NC2CCCCC2O)c1
InChIInChI=1S/C17H25NO3/c1-13-6-4-7-14(12-13)21-11-5-10-17(20)18-15-8-2-3-9-16(15)19/h4,6-7,12,15-16,19H,2-3,5,8-11H2,1H3,(H,18,20)
InChIKeyMAGVKTRAHIVDIH-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.57
Rot. Bonds6

About N-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide

N-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide (PubChem CID 62365265) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide
PubChem CID62365265
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)NC2CCCCC2O)c1
InChIInChI=1S/C17H25NO3/c1-13-6-4-7-14(12-13)21-11-5-10-17(20)18-15-8-2-3-9-16(15)19/h4,6-7,12,15-16,19H,2-3,5,8-11H2,1H3,(H,18,20)
InChIKeyMAGVKTRAHIVDIH-UHFFFAOYSA-N
XLogP2.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.57
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

[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7148036
N-[(1S,2S)-2-hydroxycyclohexyl]-3-(4-methylphenoxy)propanamide
CID 104956597
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 2600429
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride
CID 119457110
N-(1,1-dioxothiolan-3-yl)-4-(3-methylphenoxy)butanamide
CID 46558987
N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide
CID 26798980
5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide
CID 119451072
3-(2,6-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 104956768
4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide
CID 62490445
N-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methoxyphenoxy)propanamide
CID 104927572
5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide
CID 120600867
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide (CID 62365265) is N-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide is Cc1cccc(OCCCC(=O)NC2CCCCC2O)c1.
What is the InChIKey of N-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide?
The InChIKey is MAGVKTRAHIVDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13-6-4-7-14(12-13)21-11-5-10-17(20)18-15-8-2-3-9-16(15)19/h4,6-7,12,15-16,19H,2-3,5,8-11H2,1H3,(H,18,20).
What are the key properties of N-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide?
N-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide has a molecular weight of 291.39 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide is sourced from PubChem (CID 62365265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).