N-cyclohexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylacetamide

C15H28N2O2 — CID 78963297

IUPACN-cyclohexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CN1CC[C@@H](O)C1)C1CCCCC1
InChIInChI=1S/C15H28N2O2/c1-12(2)17(13-6-4-3-5-7-13)15(19)11-16-9-8-14(18)10-16/h12-14,18H,3-11H2,1-2H3/t14-/m1/s1
InChIKeyDHWNZAIKGBWETC-CQSZACIVSA-N
MW268.40 g/mol
LogP1.62
Rot. Bonds4

About N-cyclohexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylacetamide

N-cyclohexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 78963297) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-cyclohexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylacetamide
PubChem CID78963297
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-cyclohexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CN1CC[C@@H](O)C1)C1CCCCC1
InChIInChI=1S/C15H28N2O2/c1-12(2)17(13-6-4-3-5-7-13)15(19)11-16-9-8-14(18)10-16/h12-14,18H,3-11H2,1-2H3/t14-/m1/s1
InChIKeyDHWNZAIKGBWETC-CQSZACIVSA-N
XLogP1.62
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904470
N-cyclohexyl-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 115873477
N,N-diethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963518
N,N-dicyclohexyl-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 94191195
N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 78942608
N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 78963664
N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide
CID 20752266
4-amino-N-cyclopentyl-N-propan-2-ylpentanamide
CID 120560450
2-chloro-N-cyclopentyl-N-propan-2-ylacetamide
CID 54592476
3-[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43092591
1-(3-hydroxypyrrolidin-1-yl)propan-2-one
CID 23388482
2-(3-hydroxypiperidin-1-yl)-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 110897524

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-cyclohexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylacetamide (CID 78963297) is N-cyclohexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-cyclohexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylacetamide is CC(C)N(C(=O)CN1CC[C@@H](O)C1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is DHWNZAIKGBWETC-CQSZACIVSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)17(13-6-4-3-5-7-13)15(19)11-16-9-8-14(18)10-16/h12-14,18H,3-11H2,1-2H3/t14-/m1/s1.
What are the key properties of N-cyclohexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylacetamide?
N-cyclohexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 268.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 78963297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).