N-cyclohexyl-2-[4-(3-oxobutyl)phenoxy]propanamide

C19H27NO3 — CID 78767064

IUPACN-cyclohexyl-2-[4-(3-oxobutyl)phenoxy]propanamide
SMILESCC(=O)CCc1ccc(OC(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H27NO3/c1-14(21)8-9-16-10-12-18(13-11-16)23-15(2)19(22)20-17-6-4-3-5-7-17/h10-13,15,17H,3-9H2,1-2H3,(H,20,22)
InChIKeyKIRWQSFHJMDGIV-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.42
Rot. Bonds7

About N-cyclohexyl-2-[4-(3-oxobutyl)phenoxy]propanamide

N-cyclohexyl-2-[4-(3-oxobutyl)phenoxy]propanamide (PubChem CID 78767064) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(3-oxobutyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(3-oxobutyl)phenoxy]propanamide
PubChem CID78767064
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC NameN-cyclohexyl-2-[4-(3-oxobutyl)phenoxy]propanamide
SMILESCC(=O)CCc1ccc(OC(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H27NO3/c1-14(21)8-9-16-10-12-18(13-11-16)23-15(2)19(22)20-17-6-4-3-5-7-17/h10-13,15,17H,3-9H2,1-2H3,(H,20,22)
InChIKeyKIRWQSFHJMDGIV-UHFFFAOYSA-N
XLogP3.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide
CID 115495986
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
2-[4-(3-aminobutyl)phenoxy]-N-cyclopropylpropanamide
CID 43116380
4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084651
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
N-cyclopropyl-2-(4-ethylphenoxy)propanamide
CID 60625156
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
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopentylpropanamide
CID 78930256

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(3-oxobutyl)phenoxy]propanamide?
The IUPAC name of N-cyclohexyl-2-[4-(3-oxobutyl)phenoxy]propanamide (CID 78767064) is N-cyclohexyl-2-[4-(3-oxobutyl)phenoxy]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(3-oxobutyl)phenoxy]propanamide?
The canonical SMILES for N-cyclohexyl-2-[4-(3-oxobutyl)phenoxy]propanamide is CC(=O)CCc1ccc(OC(C)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-[4-(3-oxobutyl)phenoxy]propanamide?
The InChIKey is KIRWQSFHJMDGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-14(21)8-9-16-10-12-18(13-11-16)23-15(2)19(22)20-17-6-4-3-5-7-17/h10-13,15,17H,3-9H2,1-2H3,(H,20,22).
What are the key properties of N-cyclohexyl-2-[4-(3-oxobutyl)phenoxy]propanamide?
N-cyclohexyl-2-[4-(3-oxobutyl)phenoxy]propanamide has a molecular weight of 317.43 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(3-oxobutyl)phenoxy]propanamide is sourced from PubChem (CID 78767064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).