N-[(4-butoxyphenyl)methyl]-3-cyclohexylpropanamide

C20H31NO2 — CID 73253877

IUPACN-[(4-butoxyphenyl)methyl]-3-cyclohexylpropanamide
SMILESCCCCOc1ccc(CNC(=O)CCC2CCCCC2)cc1
InChIInChI=1S/C20H31NO2/c1-2-3-15-23-19-12-9-18(10-13-19)16-21-20(22)14-11-17-7-5-4-6-8-17/h9-10,12-13,17H,2-8,11,14-16H2,1H3,(H,21,22)
InChIKeyPQXOTOMVHXOBFB-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.84
Rot. Bonds9

About N-[(4-butoxyphenyl)methyl]-3-cyclohexylpropanamide

N-[(4-butoxyphenyl)methyl]-3-cyclohexylpropanamide (PubChem CID 73253877) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is N-[(4-butoxyphenyl)methyl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[(4-butoxyphenyl)methyl]-3-cyclohexylpropanamide
PubChem CID73253877
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC NameN-[(4-butoxyphenyl)methyl]-3-cyclohexylpropanamide
SMILESCCCCOc1ccc(CNC(=O)CCC2CCCCC2)cc1
InChIInChI=1S/C20H31NO2/c1-2-3-15-23-19-12-9-18(10-13-19)16-21-20(22)14-11-17-7-5-4-6-8-17/h9-10,12-13,17H,2-8,11,14-16H2,1H3,(H,21,22)
InChIKeyPQXOTOMVHXOBFB-UHFFFAOYSA-N
XLogP4.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
CID 803650
3-cyclohexyl-N-(4-propoxyphenyl)propanamide
CID 110493363
N-[[4-(chloromethyl)phenyl]methyl]-3-cyclopentylpropanamide
CID 107233470
4-oxo-4-[(4-pentoxyphenyl)methylamino]butanoic acid
CID 9151485
3-cyclohexyl-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9472140
3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 4794325
3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 2431253
4-cyclohexyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide
CID 24560673
3-cyclohexyl-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]propanamide
CID 4934904
4-[(3-cyclopentylpropanoylamino)methyl]benzenesulfonyl chloride
CID 43094957
3-cyclohexyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]propanamide
CID 55930556
4-[(4-cyclopentylbutanoylamino)methyl]benzoic acid
CID 119165577

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxyphenyl)methyl]-3-cyclohexylpropanamide?
The IUPAC name of N-[(4-butoxyphenyl)methyl]-3-cyclohexylpropanamide (CID 73253877) is N-[(4-butoxyphenyl)methyl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[(4-butoxyphenyl)methyl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[(4-butoxyphenyl)methyl]-3-cyclohexylpropanamide is CCCCOc1ccc(CNC(=O)CCC2CCCCC2)cc1.
What is the InChIKey of N-[(4-butoxyphenyl)methyl]-3-cyclohexylpropanamide?
The InChIKey is PQXOTOMVHXOBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-2-3-15-23-19-12-9-18(10-13-19)16-21-20(22)14-11-17-7-5-4-6-8-17/h9-10,12-13,17H,2-8,11,14-16H2,1H3,(H,21,22).
What are the key properties of N-[(4-butoxyphenyl)methyl]-3-cyclohexylpropanamide?
N-[(4-butoxyphenyl)methyl]-3-cyclohexylpropanamide has a molecular weight of 317.47 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxyphenyl)methyl]-3-cyclohexylpropanamide is sourced from PubChem (CID 73253877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).