3-(2-chlorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide

C16H22ClNO3 — CID 102635543

IUPAC3-(2-chlorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
SMILESCN(C(=O)CCOc1ccccc1Cl)C1CCCCC1O
InChIInChI=1S/C16H22ClNO3/c1-18(13-7-3-4-8-14(13)19)16(20)10-11-21-15-9-5-2-6-12(15)17/h2,5-6,9,13-14,19H,3-4,7-8,10-11H2,1H3
InChIKeyMGZIMIIPVPDDJH-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.87
Rot. Bonds5

About 3-(2-chlorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide

3-(2-chlorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide (PubChem CID 102635543) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
PubChem CID102635543
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name3-(2-chlorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
SMILESCN(C(=O)CCOc1ccccc1Cl)C1CCCCC1O
InChIInChI=1S/C16H22ClNO3/c1-18(13-7-3-4-8-14(13)19)16(20)10-11-21-15-9-5-2-6-12(15)17/h2,5-6,9,13-14,19H,3-4,7-8,10-11H2,1H3
InChIKeyMGZIMIIPVPDDJH-UHFFFAOYSA-N
XLogP2.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442168
3-(3-fluorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
CID 102634743
2-(2-chlorophenoxy)-N-cyclopentyl-N-methylacetamide
CID 92674739
2-[3-(2-chlorophenoxy)propanoyl-cyclopropylamino]acetic acid
CID 60826398
3-(2-chlorophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43576626
3-chloro-4-ethoxy-N-[(1S,2S)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 95875729
3-[3-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60988513
2-[carboxymethyl-[3-(2-chlorophenoxy)propanoyl]amino]acetic acid
CID 63651815
2-[3-(2-chlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 62817927
4-[(2-chlorophenyl)methoxy]-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 56922471
4-[(2-chlorophenyl)methoxy]-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 95706547
3-[2-(2-chlorophenoxy)ethyl]-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea
CID 97242852

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide (CID 102635543) is 3-(2-chlorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide is CN(C(=O)CCOc1ccccc1Cl)C1CCCCC1O.
What is the InChIKey of 3-(2-chlorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide?
The InChIKey is MGZIMIIPVPDDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-18(13-7-3-4-8-14(13)19)16(20)10-11-21-15-9-5-2-6-12(15)17/h2,5-6,9,13-14,19H,3-4,7-8,10-11H2,1H3.
What are the key properties of 3-(2-chlorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide?
3-(2-chlorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide has a molecular weight of 311.81 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide is sourced from PubChem (CID 102635543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).