1-cyclohexyl-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one;hydrochloride

C22H36ClNO2 — CID 11523786

IUPAC1-cyclohexyl-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one;hydrochloride
SMILESCCN(CCCC(=O)C1CCCCC1)C(C)Cc1ccc(OC)cc1.Cl
InChIInChI=1S/C22H35NO2.ClH/c1-4-23(16-8-11-22(24)20-9-6-5-7-10-20)18(2)17-19-12-14-21(25-3)15-13-19;/h12-15,18,20H,4-11,16-17H2,1-3H3;1H
InChIKeyYBNFCHDBXWWVCU-UHFFFAOYSA-N
MW381.99 g/mol
LogP5.30
Rot. Bonds10

About 1-cyclohexyl-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one;hydrochloride

1-cyclohexyl-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one;hydrochloride (PubChem CID 11523786) has the molecular formula C22H36ClNO2 and a molecular weight of 381.99 g/mol. Its IUPAC name is 1-cyclohexyl-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one;hydrochloride
PubChem CID11523786
Molecular FormulaC22H36ClNO2
Molecular Weight381.99 g/mol
Exact Mass381.24
IUPAC Name1-cyclohexyl-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one;hydrochloride
SMILESCCN(CCCC(=O)C1CCCCC1)C(C)Cc1ccc(OC)cc1.Cl
InChIInChI=1S/C22H35NO2.ClH/c1-4-23(16-8-11-22(24)20-9-6-5-7-10-20)18(2)17-19-12-14-21(25-3)15-13-19;/h12-15,18,20H,4-11,16-17H2,1-3H3;1H
InChIKeyYBNFCHDBXWWVCU-UHFFFAOYSA-N
XLogP5.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.99
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Propanone, 1-(4-methoxyphenyl)-3-(1-piperidinyl)-, hydrochloride (1:1)
CID 70563
Secoverine
CID 42470
1-(4-Methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 2984719
1-(4-Methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one--hydrogen chloride (1/1)
CID 24761516
Propiophenone, 3-(4-benzylpiperidino)-4'-methoxy-, hydrochloride
CID 24843854
1-Propanone, 3-(dimethylamino)-1-(4-methoxyphenyl)-, hydrochloride (1:1)
CID 78910
Idaverine
CID 10341921
N-(4-methoxyphenethyl)oleamide
CID 44406075
N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 729989
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 755425
N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutanamide
CID 885698
4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 1716197

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one;hydrochloride?
The IUPAC name of 1-cyclohexyl-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one;hydrochloride (CID 11523786) is 1-cyclohexyl-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one;hydrochloride?
The canonical SMILES for 1-cyclohexyl-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one;hydrochloride is CCN(CCCC(=O)C1CCCCC1)C(C)Cc1ccc(OC)cc1.Cl.
What is the InChIKey of 1-cyclohexyl-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one;hydrochloride?
The InChIKey is YBNFCHDBXWWVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO2.ClH/c1-4-23(16-8-11-22(24)20-9-6-5-7-10-20)18(2)17-19-12-14-21(25-3)15-13-19;/h12-15,18,20H,4-11,16-17H2,1-3H3;1H.
What are the key properties of 1-cyclohexyl-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one;hydrochloride?
1-cyclohexyl-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one;hydrochloride has a molecular weight of 381.99 g/mol, XLogP of 5.30, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one;hydrochloride is sourced from PubChem (CID 11523786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).