2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide

C20H31NO2 — CID 19203440

IUPAC2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C20H31NO2/c1-15(19(22)21-17-9-7-5-6-8-10-17)23-18-13-11-16(12-14-18)20(2,3)4/h11-15,17H,5-10H2,1-4H3,(H,21,22)
InChIKeyHWMCSUDUHSCUHF-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.59
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide

2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide (PubChem CID 19203440) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
PubChem CID19203440
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C20H31NO2/c1-15(19(22)21-17-9-7-5-6-8-10-17)23-18-13-11-16(12-14-18)20(2,3)4/h11-15,17H,5-10H2,1-4H3,(H,21,22)
InChIKeyHWMCSUDUHSCUHF-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-tert-butylphenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7703486
4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084651
N-(4-aminocyclohexyl)-2-(4-tert-butylphenoxy)propanamide;hydrochloride
CID 119475538
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate
CID 17462378
(2S)-N-cyclopentyl-2-(4-phenylphenoxy)propanamide
CID 7868566
(2R)-N-cyclohexyl-2-(4-sulfamoylphenoxy)propanamide
CID 93480668
(2S)-N-cyclohexyl-2-(4-sulfamoylphenoxy)propanamide
CID 93480667
ethyl 4-[2-(4-tert-butylphenoxy)propanoylamino]piperidine-1-carboxylate
CID 51177018
N-cyclopentyl-2-(4-methylsulfonylphenoxy)propanamide
CID 51174549
2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide
CID 16620513

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide (CID 19203440) is 2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CCCCCC1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide?
The InChIKey is HWMCSUDUHSCUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-15(19(22)21-17-9-7-5-6-8-10-17)23-18-13-11-16(12-14-18)20(2,3)4/h11-15,17H,5-10H2,1-4H3,(H,21,22).
What are the key properties of 2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide?
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide has a molecular weight of 317.47 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide is sourced from PubChem (CID 19203440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).