2-(3-methylcyclohexyl)oxy-N-(2-phenoxypropyl)acetamide

C18H27NO3 — CID 86948525

IUPAC2-(3-methylcyclohexyl)oxy-N-(2-phenoxypropyl)acetamide
SMILESCC1CCCC(OCC(=O)NCC(C)Oc2ccccc2)C1
InChIInChI=1S/C18H27NO3/c1-14-7-6-10-17(11-14)21-13-18(20)19-12-15(2)22-16-8-4-3-5-9-16/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3,(H,19,20)
InChIKeyDKABCVVVNJCTAK-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.17
Rot. Bonds7

About 2-(3-methylcyclohexyl)oxy-N-(2-phenoxypropyl)acetamide

2-(3-methylcyclohexyl)oxy-N-(2-phenoxypropyl)acetamide (PubChem CID 86948525) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)oxy-N-(2-phenoxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)oxy-N-(2-phenoxypropyl)acetamide
PubChem CID86948525
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-(3-methylcyclohexyl)oxy-N-(2-phenoxypropyl)acetamide
SMILESCC1CCCC(OCC(=O)NCC(C)Oc2ccccc2)C1
InChIInChI=1S/C18H27NO3/c1-14-7-6-10-17(11-14)21-13-18(20)19-12-15(2)22-16-8-4-3-5-9-16/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3,(H,19,20)
InChIKeyDKABCVVVNJCTAK-UHFFFAOYSA-N
XLogP3.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyloxy-N-[(2R)-2-phenoxypropyl]acetamide
CID 95901206
2-cyclopentyloxy-N-[(2S)-2-phenoxypropyl]acetamide
CID 95901205
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(3-methylcyclohexyl)oxyacetamide
CID 111450960
N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[(1R,3R)-3-methylcyclohexyl]oxyacetamide
CID 100597841
N-(2-phenoxypropyl)-2-pyrrolidin-2-ylacetamide
CID 119734660
(2S)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide
CID 95624769
(2R)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide
CID 98764146
trans-(1R,2R)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131962
trans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131961
N-(2-acetamidoethyl)-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
CID 97023264
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-phenoxypropyl)acetamide
CID 119734644
(3-methylcyclohexyl) 2-phenoxyacetate
CID 78838655

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)oxy-N-(2-phenoxypropyl)acetamide?
The IUPAC name of 2-(3-methylcyclohexyl)oxy-N-(2-phenoxypropyl)acetamide (CID 86948525) is 2-(3-methylcyclohexyl)oxy-N-(2-phenoxypropyl)acetamide.
What is the SMILES notation for 2-(3-methylcyclohexyl)oxy-N-(2-phenoxypropyl)acetamide?
The canonical SMILES for 2-(3-methylcyclohexyl)oxy-N-(2-phenoxypropyl)acetamide is CC1CCCC(OCC(=O)NCC(C)Oc2ccccc2)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)oxy-N-(2-phenoxypropyl)acetamide?
The InChIKey is DKABCVVVNJCTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-14-7-6-10-17(11-14)21-13-18(20)19-12-15(2)22-16-8-4-3-5-9-16/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-methylcyclohexyl)oxy-N-(2-phenoxypropyl)acetamide?
2-(3-methylcyclohexyl)oxy-N-(2-phenoxypropyl)acetamide has a molecular weight of 305.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)oxy-N-(2-phenoxypropyl)acetamide is sourced from PubChem (CID 86948525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).