2-(4-acetylphenoxy)-N-(cyclohexylmethyl)propanamide

C18H25NO3 — CID 4883415

IUPAC2-(4-acetylphenoxy)-N-(cyclohexylmethyl)propanamide
SMILESCC(=O)c1ccc(OC(C)C(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C18H25NO3/c1-13(20)16-8-10-17(11-9-16)22-14(2)18(21)19-12-15-6-4-3-5-7-15/h8-11,14-15H,3-7,12H2,1-2H3,(H,19,21)
InChIKeyHONNZTBJMORNAO-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.35
Rot. Bonds6

About 2-(4-acetylphenoxy)-N-(cyclohexylmethyl)propanamide

2-(4-acetylphenoxy)-N-(cyclohexylmethyl)propanamide (PubChem CID 4883415) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-(cyclohexylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-(cyclohexylmethyl)propanamide
PubChem CID4883415
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-(4-acetylphenoxy)-N-(cyclohexylmethyl)propanamide
SMILESCC(=O)c1ccc(OC(C)C(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C18H25NO3/c1-13(20)16-8-10-17(11-9-16)22-14(2)18(21)19-12-15-6-4-3-5-7-15/h8-11,14-15H,3-7,12H2,1-2H3,(H,19,21)
InChIKeyHONNZTBJMORNAO-UHFFFAOYSA-N
XLogP3.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 133164152
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
(2S)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100566102
(2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100566093
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 7751170
4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084651
(2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide
CID 95160340
2-(4-acetylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 91149656
[2-(cyclohexylmethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 2603569
methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate
CID 17462378
2-(4-acetylphenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 17399319
N-(cyclohexylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133185624

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-(cyclohexylmethyl)propanamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-(cyclohexylmethyl)propanamide (CID 4883415) is 2-(4-acetylphenoxy)-N-(cyclohexylmethyl)propanamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-(cyclohexylmethyl)propanamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-(cyclohexylmethyl)propanamide is CC(=O)c1ccc(OC(C)C(=O)NCC2CCCCC2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-(cyclohexylmethyl)propanamide?
The InChIKey is HONNZTBJMORNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13(20)16-8-10-17(11-9-16)22-14(2)18(21)19-12-15-6-4-3-5-7-15/h8-11,14-15H,3-7,12H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-acetylphenoxy)-N-(cyclohexylmethyl)propanamide?
2-(4-acetylphenoxy)-N-(cyclohexylmethyl)propanamide has a molecular weight of 303.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-(cyclohexylmethyl)propanamide is sourced from PubChem (CID 4883415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).