(2S)-2-(4-tert-butylphenoxy)-N-(cyclohexylcarbamoyl)propanamide

C20H30N2O3 — CID 7703486

IUPAC(2S)-2-(4-tert-butylphenoxy)-N-(cyclohexylcarbamoyl)propanamide
SMILESC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C20H30N2O3/c1-14(25-17-12-10-15(11-13-17)20(2,3)4)18(23)22-19(24)21-16-8-6-5-7-9-16/h10-14,16H,5-9H2,1-4H3,(H2,21,22,23,24)/t14-/m0/s1
InChIKeyLJXNETXAPKBSLG-AWEZNQCLSA-N
MW346.47 g/mol
LogP3.91
Rot. Bonds4

About (2S)-2-(4-tert-butylphenoxy)-N-(cyclohexylcarbamoyl)propanamide

(2S)-2-(4-tert-butylphenoxy)-N-(cyclohexylcarbamoyl)propanamide (PubChem CID 7703486) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (2S)-2-(4-tert-butylphenoxy)-N-(cyclohexylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-tert-butylphenoxy)-N-(cyclohexylcarbamoyl)propanamide
PubChem CID7703486
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(2S)-2-(4-tert-butylphenoxy)-N-(cyclohexylcarbamoyl)propanamide
SMILESC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C20H30N2O3/c1-14(25-17-12-10-15(11-13-17)20(2,3)4)18(23)22-19(24)21-16-8-6-5-7-9-16/h10-14,16H,5-9H2,1-4H3,(H2,21,22,23,24)/t14-/m0/s1
InChIKeyLJXNETXAPKBSLG-AWEZNQCLSA-N
XLogP3.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
(2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7816268
(2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815645
(2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide
CID 7817937
(2S)-N-(cyclohexylcarbamoyl)-2-(4-nitrophenoxy)propanamide
CID 7816857
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
(2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815946
ethyl 4-[2-(4-tert-butylphenoxy)propanoylamino]piperidine-1-carboxylate
CID 51177018
methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate
CID 17462378

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butylphenoxy)-N-(cyclohexylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-(4-tert-butylphenoxy)-N-(cyclohexylcarbamoyl)propanamide (CID 7703486) is (2S)-2-(4-tert-butylphenoxy)-N-(cyclohexylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-(4-tert-butylphenoxy)-N-(cyclohexylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-(4-tert-butylphenoxy)-N-(cyclohexylcarbamoyl)propanamide is C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of (2S)-2-(4-tert-butylphenoxy)-N-(cyclohexylcarbamoyl)propanamide?
The InChIKey is LJXNETXAPKBSLG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14(25-17-12-10-15(11-13-17)20(2,3)4)18(23)22-19(24)21-16-8-6-5-7-9-16/h10-14,16H,5-9H2,1-4H3,(H2,21,22,23,24)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-tert-butylphenoxy)-N-(cyclohexylcarbamoyl)propanamide?
(2S)-2-(4-tert-butylphenoxy)-N-(cyclohexylcarbamoyl)propanamide has a molecular weight of 346.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-tert-butylphenoxy)-N-(cyclohexylcarbamoyl)propanamide is sourced from PubChem (CID 7703486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).