2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide

C16H30N2O2 — CID 115966781

IUPAC2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)CN2CCC(C(C)O)C2)CC1
InChIInChI=1S/C16H30N2O2/c1-12-4-6-15(7-5-12)17(3)16(20)11-18-9-8-14(10-18)13(2)19/h12-15,19H,4-11H2,1-3H3
InChIKeyRZKBHEVXSWAHHP-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.73
Rot. Bonds4

About 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide

2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 115966781) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
PubChem CID115966781
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)CN2CCC(C(C)O)C2)CC1
InChIInChI=1S/C16H30N2O2/c1-12-4-6-15(7-5-12)17(3)16(20)11-18-9-8-14(10-18)13(2)19/h12-15,19H,4-11H2,1-3H3
InChIKeyRZKBHEVXSWAHHP-UHFFFAOYSA-N
XLogP1.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 78963930
N-cyclopentyl-N-cyclopropyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 110020360
N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 78963664
2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride
CID 119924043
2-(4-amino-3-ethylpiperidin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 81458982
3-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324628
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride
CID 119926559
N-(1-ethylpiperidin-4-yl)-4-hydroxy-N-methylpentanamide
CID 79192601
N-methyl-N-(4-methylcyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
CID 55409131
2-[2-hydroxypropyl(methyl)amino]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 55060589
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 81493466
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 63339686

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide (CID 115966781) is 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide is CC1CCC(N(C)C(=O)CN2CCC(C(C)O)C2)CC1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is RZKBHEVXSWAHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-4-6-15(7-5-12)17(3)16(20)11-18-9-8-14(10-18)13(2)19/h12-15,19H,4-11H2,1-3H3.
What are the key properties of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 282.43 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 115966781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).