2-(3-chlorophenoxy)-N-methyl-N-(2-methylcyclohexyl)propanamide

C17H24ClNO2 — CID 112815493

IUPAC2-(3-chlorophenoxy)-N-methyl-N-(2-methylcyclohexyl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)N(C)C1CCCCC1C
InChIInChI=1S/C17H24ClNO2/c1-12-7-4-5-10-16(12)19(3)17(20)13(2)21-15-9-6-8-14(18)11-15/h6,8-9,11-13,16H,4-5,7,10H2,1-3H3
InChIKeyJFSSMLOIPUJXRR-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.14
Rot. Bonds4

About 2-(3-chlorophenoxy)-N-methyl-N-(2-methylcyclohexyl)propanamide

2-(3-chlorophenoxy)-N-methyl-N-(2-methylcyclohexyl)propanamide (PubChem CID 112815493) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-methyl-N-(2-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-methyl-N-(2-methylcyclohexyl)propanamide
PubChem CID112815493
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name2-(3-chlorophenoxy)-N-methyl-N-(2-methylcyclohexyl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)N(C)C1CCCCC1C
InChIInChI=1S/C17H24ClNO2/c1-12-7-4-5-10-16(12)19(3)17(20)13(2)21-15-9-6-8-14(18)11-15/h6,8-9,11-13,16H,4-5,7,10H2,1-3H3
InChIKeyJFSSMLOIPUJXRR-UHFFFAOYSA-N
XLogP4.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 95880421
2-methoxy-N-methyl-N-(2-methylcyclohexyl)propanamide
CID 112685758
(2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide
CID 92683784
N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 63391336
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide
CID 134058549
(2S)-N-cyclopentyl-N-methyl-2-naphthalen-2-yloxypropanamide
CID 38015885
(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
2-(3-chlorophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)propanamide
CID 79700188
(2R)-2-(4-fluorophenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide
CID 124536446
(2S)-2-(4-fluorophenoxy)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylpropanamide
CID 98771935

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-methyl-N-(2-methylcyclohexyl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-methyl-N-(2-methylcyclohexyl)propanamide (CID 112815493) is 2-(3-chlorophenoxy)-N-methyl-N-(2-methylcyclohexyl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-methyl-N-(2-methylcyclohexyl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-methyl-N-(2-methylcyclohexyl)propanamide is CC(Oc1cccc(Cl)c1)C(=O)N(C)C1CCCCC1C.
What is the InChIKey of 2-(3-chlorophenoxy)-N-methyl-N-(2-methylcyclohexyl)propanamide?
The InChIKey is JFSSMLOIPUJXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-12-7-4-5-10-16(12)19(3)17(20)13(2)21-15-9-6-8-14(18)11-15/h6,8-9,11-13,16H,4-5,7,10H2,1-3H3.
What are the key properties of 2-(3-chlorophenoxy)-N-methyl-N-(2-methylcyclohexyl)propanamide?
2-(3-chlorophenoxy)-N-methyl-N-(2-methylcyclohexyl)propanamide has a molecular weight of 309.84 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-methyl-N-(2-methylcyclohexyl)propanamide is sourced from PubChem (CID 112815493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).