3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide

C17H25NO3 — CID 43417399

IUPAC3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide
SMILESCc1cccc(OCCC(=O)NC2CCC(O)CC2)c1C
InChIInChI=1S/C17H25NO3/c1-12-4-3-5-16(13(12)2)21-11-10-17(20)18-14-6-8-15(19)9-7-14/h3-5,14-15,19H,6-11H2,1-2H3,(H,18,20)
InChIKeyICHOEHVLKSWLTI-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.49
Rot. Bonds5

About 3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide

3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide (PubChem CID 43417399) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide
PubChem CID43417399
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide
SMILESCc1cccc(OCCC(=O)NC2CCC(O)CC2)c1C
InChIInChI=1S/C17H25NO3/c1-12-4-3-5-16(13(12)2)21-11-10-17(20)18-14-6-8-15(19)9-7-14/h3-5,14-15,19H,6-11H2,1-2H3,(H,18,20)
InChIKeyICHOEHVLKSWLTI-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-(2,3-dimethylphenoxy)propanamide
CID 60737583
N-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
CID 119478904
2-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)acetamide
CID 43389110
3-(2,3-dimethylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119454143
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide
CID 86985236
N-cyclopropyl-2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 47024315
2-[2-[3-(cyclopropylamino)-3-oxopropoxy]phenyl]acetic acid
CID 80740402
2-(2,3-dimethylphenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106124065
3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide
CID 79675927
N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide
CID 64853538
N-cyclopropyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 8909311
4-(2,3-dimethylphenoxy)butanehydrazide
CID 63574436

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide?
The IUPAC name of 3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide (CID 43417399) is 3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide.
What is the SMILES notation for 3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide?
The canonical SMILES for 3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide is Cc1cccc(OCCC(=O)NC2CCC(O)CC2)c1C.
What is the InChIKey of 3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide?
The InChIKey is ICHOEHVLKSWLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12-4-3-5-16(13(12)2)21-11-10-17(20)18-14-6-8-15(19)9-7-14/h3-5,14-15,19H,6-11H2,1-2H3,(H,18,20).
What are the key properties of 3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide?
3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide has a molecular weight of 291.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide is sourced from PubChem (CID 43417399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).