2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide

C18H28N2O3 — CID 110923589

IUPAC2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(CC(C)O)C2CCCCC2)cc1
InChIInChI=1S/C18H28N2O3/c1-14(21)12-20(16-6-4-3-5-7-16)13-18(22)19-15-8-10-17(23-2)11-9-15/h8-11,14,16,21H,3-7,12-13H2,1-2H3,(H,19,22)
InChIKeyOEEHLNWWCKUTEC-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.65
Rot. Bonds7

About 2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide

2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide (PubChem CID 110923589) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide
PubChem CID110923589
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(CC(C)O)C2CCCCC2)cc1
InChIInChI=1S/C18H28N2O3/c1-14(21)12-20(16-6-4-3-5-7-16)13-18(22)19-15-8-10-17(23-2)11-9-15/h8-11,14,16,21H,3-7,12-13H2,1-2H3,(H,19,22)
InChIKeyOEEHLNWWCKUTEC-UHFFFAOYSA-N
XLogP2.65
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl(2-hydroxyethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 60911412
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 9222589
2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 16577758
N-(4-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 167278425
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 8977684
N-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 46561956
2-cyclopentyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9438651
N-(4-chlorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770105
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 34978448
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 109397914
[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8816667
methyl 4-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetyl]amino]benzoate
CID 8770093

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide (CID 110923589) is 2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(CC(C)O)C2CCCCC2)cc1.
What is the InChIKey of 2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is OEEHLNWWCKUTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(21)12-20(16-6-4-3-5-7-16)13-18(22)19-15-8-10-17(23-2)11-9-15/h8-11,14,16,21H,3-7,12-13H2,1-2H3,(H,19,22).
What are the key properties of 2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide?
2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 320.43 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 110923589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).