2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-methylcyclohexyl)oxyethyl]acetamide

C16H30N2O3 — CID 110921438

IUPAC2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-methylcyclohexyl)oxyethyl]acetamide
SMILESCC1CCCCC1OCCNC(=O)CN1CCC[C@@H]1CO
InChIInChI=1S/C16H30N2O3/c1-13-5-2-3-7-15(13)21-10-8-17-16(20)11-18-9-4-6-14(18)12-19/h13-15,19H,2-12H2,1H3,(H,17,20)/t13?,14-,15?/m1/s1
InChIKeyHPPIAQCAOAHGOK-SHARSMKWSA-N
MW298.43 g/mol
LogP1.15
Rot. Bonds7

About 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-methylcyclohexyl)oxyethyl]acetamide

2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-methylcyclohexyl)oxyethyl]acetamide (PubChem CID 110921438) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-methylcyclohexyl)oxyethyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-methylcyclohexyl)oxyethyl]acetamide
PubChem CID110921438
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-methylcyclohexyl)oxyethyl]acetamide
SMILESCC1CCCCC1OCCNC(=O)CN1CCC[C@@H]1CO
InChIInChI=1S/C16H30N2O3/c1-13-5-2-3-7-15(13)21-10-8-17-16(20)11-18-9-4-6-14(18)12-19/h13-15,19H,2-12H2,1H3,(H,17,20)/t13?,14-,15?/m1/s1
InChIKeyHPPIAQCAOAHGOK-SHARSMKWSA-N
XLogP1.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 60684865
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 62014539
1-[2-[2-(2-methylcyclohexyl)oxyethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 56796664
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 78942385
N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657660
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657662
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 60685168
ethyl 4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 78942507
N-(2-methoxyethyl)-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546583
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 94824406
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 95573046
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 94031283

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-methylcyclohexyl)oxyethyl]acetamide?
The IUPAC name of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-methylcyclohexyl)oxyethyl]acetamide (CID 110921438) is 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-methylcyclohexyl)oxyethyl]acetamide.
What is the SMILES notation for 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-methylcyclohexyl)oxyethyl]acetamide?
The canonical SMILES for 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-methylcyclohexyl)oxyethyl]acetamide is CC1CCCCC1OCCNC(=O)CN1CCC[C@@H]1CO.
What is the InChIKey of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-methylcyclohexyl)oxyethyl]acetamide?
The InChIKey is HPPIAQCAOAHGOK-SHARSMKWSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-13-5-2-3-7-15(13)21-10-8-17-16(20)11-18-9-4-6-14(18)12-19/h13-15,19H,2-12H2,1H3,(H,17,20)/t13?,14-,15?/m1/s1.
What are the key properties of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-methylcyclohexyl)oxyethyl]acetamide?
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-methylcyclohexyl)oxyethyl]acetamide has a molecular weight of 298.43 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-methylcyclohexyl)oxyethyl]acetamide is sourced from PubChem (CID 110921438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).