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

C14H26N2O2 — CID 78942385

IUPAC2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CN1CCC[C@H]1CO
InChIInChI=1S/C14H26N2O2/c1-11-5-2-3-7-13(11)15-14(18)9-16-8-4-6-12(16)10-17/h11-13,17H,2-10H2,1H3,(H,15,18)/t11?,12-,13?/m0/s1
InChIKeyIQEFBWYYDQGGDB-CPCZMJQVSA-N
MW254.37 g/mol
LogP1.14
Rot. Bonds4

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

2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylcyclohexyl)acetamide (PubChem CID 78942385) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylcyclohexyl)acetamide
PubChem CID78942385
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CN1CCC[C@H]1CO
InChIInChI=1S/C14H26N2O2/c1-11-5-2-3-7-13(11)15-14(18)9-16-8-4-6-12(16)10-17/h11-13,17H,2-10H2,1H3,(H,15,18)/t11?,12-,13?/m0/s1
InChIKeyIQEFBWYYDQGGDB-CPCZMJQVSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-2-yl]acetate
CID 60524224
N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942542
N-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942509
1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]azepane-2-carboxylic acid
CID 64563925
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 80505960
N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide
CID 28881157
N-(4-chloro-1,1-dioxothiolan-3-yl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 66260988
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-methylcyclohexyl)oxyethyl]acetamide
CID 110921438
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 78942440
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 62015118
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119
N-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62733673

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylcyclohexyl)acetamide (CID 78942385) is 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)CN1CCC[C@H]1CO.
What is the InChIKey of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylcyclohexyl)acetamide?
The InChIKey is IQEFBWYYDQGGDB-CPCZMJQVSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11-5-2-3-7-13(11)15-14(18)9-16-8-4-6-12(16)10-17/h11-13,17H,2-10H2,1H3,(H,15,18)/t11?,12-,13?/m0/s1.
What are the key properties of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylcyclohexyl)acetamide?
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylcyclohexyl)acetamide has a molecular weight of 254.37 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 78942385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).