N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide

C18H25NO3 — CID 78760578

IUPACN-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C18H25NO3/c1-2-17(20)15-8-10-16(11-9-15)22-13-18(21)19-12-14-6-4-3-5-7-14/h8-11,14H,2-7,12-13H2,1H3,(H,19,21)
InChIKeyXFGWCOSKKXHFMR-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.35
Rot. Bonds7

About N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide

N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide (PubChem CID 78760578) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide
PubChem CID78760578
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C18H25NO3/c1-2-17(20)15-8-10-16(11-9-15)22-13-18(21)19-12-14-6-4-3-5-7-14/h8-11,14H,2-7,12-13H2,1H3,(H,19,21)
InChIKeyXFGWCOSKKXHFMR-UHFFFAOYSA-N
XLogP3.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

N-cycloheptyl-2-(4-propanoylphenoxy)acetamide
CID 2549658
2-[4-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)acetamide
CID 43370712
2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide
CID 94168869
[2-(cyclohexylamino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855189
1-[4-(cyclobutylmethoxy)phenyl]propan-1-one
CID 65459422
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-propanoylphenoxy)acetate
CID 9291487
N-(cyclobutylmethyl)-2-[4-(pyrrolidine-1-carbonyl)phenoxy]acetamide
CID 71932136
2-(4-benzoylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 134038104
N-(3-ethoxypropyl)-2-(4-propanoylphenoxy)acetamide
CID 78760477
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655
[2-(cyclohexylmethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 2603569
1-[4-(cyclopentylmethylamino)phenyl]propan-1-one
CID 114066650

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide (CID 78760578) is N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)NCC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide?
The InChIKey is XFGWCOSKKXHFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-2-17(20)15-8-10-16(11-9-15)22-13-18(21)19-12-14-6-4-3-5-7-14/h8-11,14H,2-7,12-13H2,1H3,(H,19,21).
What are the key properties of N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide?
N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide has a molecular weight of 303.40 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 78760578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).