2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide

C19H28N2O2 — CID 57215948

IUPAC2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide
SMILESCC(Oc1ccccc1)C(=O)NC1CCCCC1N1CCCC1
InChIInChI=1S/C19H28N2O2/c1-15(23-16-9-3-2-4-10-16)19(22)20-17-11-5-6-12-18(17)21-13-7-8-14-21/h2-4,9-10,15,17-18H,5-8,11-14H2,1H3,(H,20,22)
InChIKeySXRWRSABPHBJIA-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.98
Rot. Bonds5

About 2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide

2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide (PubChem CID 57215948) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide
PubChem CID57215948
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide
SMILESCC(Oc1ccccc1)C(=O)NC1CCCCC1N1CCCC1
InChIInChI=1S/C19H28N2O2/c1-15(23-16-9-3-2-4-10-16)19(22)20-17-11-5-6-12-18(17)21-13-7-8-14-21/h2-4,9-10,15,17-18H,5-8,11-14H2,1H3,(H,20,22)
InChIKeySXRWRSABPHBJIA-UHFFFAOYSA-N
XLogP2.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide
CID 57311087
2-(2,6-dichlorophenoxy)-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide
CID 57215344
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
(2S)-N-cyclopentyl-2-(4-phenylphenoxy)propanamide
CID 7868566
N-cyclopropyl-2-(4-phenoxyphenoxy)propanamide
CID 4793506
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide
CID 107903723
4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084651
2-(4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide
CID 42901999
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)propanamide;dihydrochloride
CID 119857996
2-[2-(4-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 64812015

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide?
The IUPAC name of 2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide (CID 57215948) is 2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide.
What is the SMILES notation for 2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide?
The canonical SMILES for 2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide is CC(Oc1ccccc1)C(=O)NC1CCCCC1N1CCCC1.
What is the InChIKey of 2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide?
The InChIKey is SXRWRSABPHBJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15(23-16-9-3-2-4-10-16)19(22)20-17-11-5-6-12-18(17)21-13-7-8-14-21/h2-4,9-10,15,17-18H,5-8,11-14H2,1H3,(H,20,22).
What are the key properties of 2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide?
2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide has a molecular weight of 316.44 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide is sourced from PubChem (CID 57215948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).