4-(4-chlorophenyl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide

C19H26ClNO3 — CID 134029986

IUPAC4-(4-chlorophenyl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)NCCCOC1CCCCC1
InChIInChI=1S/C19H26ClNO3/c20-16-9-7-15(8-10-16)18(22)11-12-19(23)21-13-4-14-24-17-5-2-1-3-6-17/h7-10,17H,1-6,11-14H2,(H,21,23)
InChIKeyJAXVDVFXAKIINE-UHFFFAOYSA-N
MW351.87 g/mol
LogP4.16
Rot. Bonds9

About 4-(4-chlorophenyl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide

4-(4-chlorophenyl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide (PubChem CID 134029986) has the molecular formula C19H26ClNO3 and a molecular weight of 351.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide
PubChem CID134029986
Molecular FormulaC19H26ClNO3
Molecular Weight351.87 g/mol
Exact Mass351.16
IUPAC Name4-(4-chlorophenyl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)NCCCOC1CCCCC1
InChIInChI=1S/C19H26ClNO3/c20-16-9-7-15(8-10-16)18(22)11-12-19(23)21-13-4-14-24-17-5-2-1-3-6-17/h7-10,17H,1-6,11-14H2,(H,21,23)
InChIKeyJAXVDVFXAKIINE-UHFFFAOYSA-N
XLogP4.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.87
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(5-chlorothiophen-2-yl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide
CID 134030077
N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide
CID 100608367
2-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)acetamide
CID 34452142
1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea
CID 27870222
3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390
N-(3-cyclopentyloxypropyl)-3-(2,6-dichlorophenyl)propanamide
CID 100603333
2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide
CID 100564682
N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119407638
2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30219781
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119432701
5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide
CID 31852388
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide (CID 134029986) is 4-(4-chlorophenyl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(Cl)cc1)NCCCOC1CCCCC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide?
The InChIKey is JAXVDVFXAKIINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClNO3/c20-16-9-7-15(8-10-16)18(22)11-12-19(23)21-13-4-14-24-17-5-2-1-3-6-17/h7-10,17H,1-6,11-14H2,(H,21,23).
What are the key properties of 4-(4-chlorophenyl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide?
4-(4-chlorophenyl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide has a molecular weight of 351.87 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide is sourced from PubChem (CID 134029986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).