N-(cyclohexylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide

C15H28N2O3 — CID 128982897

IUPACN-(cyclohexylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide
SMILESCO[C@H]1C[C@@H](CO)N(CC(=O)NCC2CCCCC2)C1
InChIInChI=1S/C15H28N2O3/c1-20-14-7-13(11-18)17(9-14)10-15(19)16-8-12-5-3-2-4-6-12/h12-14,18H,2-11H2,1H3,(H,16,19)/t13-,14-/m0/s1
InChIKeyRMBOIPBJJDBVSB-KBPBESRZSA-N
MW284.40 g/mol
LogP0.76
Rot. Bonds6

About N-(cyclohexylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide

N-(cyclohexylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide (PubChem CID 128982897) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide
PubChem CID128982897
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN-(cyclohexylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide
SMILESCO[C@H]1C[C@@H](CO)N(CC(=O)NCC2CCCCC2)C1
InChIInChI=1S/C15H28N2O3/c1-20-14-7-13(11-18)17(9-14)10-15(19)16-8-12-5-3-2-4-6-12/h12-14,18H,2-11H2,1H3,(H,16,19)/t13-,14-/m0/s1
InChIKeyRMBOIPBJJDBVSB-KBPBESRZSA-N
XLogP0.76
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-tert-butylphenyl)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide
CID 128983572
2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 128982783
N-[2-(2,6-dimethylphenoxy)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide
CID 128983575
N-(cyclobutylmethyl)-2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide
CID 128993547
2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-N-(cyclohexylmethyl)acetamide
CID 138383992
N-(cyclohexylmethyl)-2-(4-cyclopropyl-4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 156603416
N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 1459544
methyl (2R,4R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-4-methoxypyrrolidine-2-carboxylate
CID 97214242
N-(2-cyclopentylpyrazol-3-yl)-2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]acetamide
CID 128980971
1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61197043
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 60684865
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cycloheptylacetamide
CID 115963763

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide (CID 128982897) is N-(cyclohexylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide is CO[C@H]1C[C@@H](CO)N(CC(=O)NCC2CCCCC2)C1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide?
The InChIKey is RMBOIPBJJDBVSB-KBPBESRZSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-20-14-7-13(11-18)17(9-14)10-15(19)16-8-12-5-3-2-4-6-12/h12-14,18H,2-11H2,1H3,(H,16,19)/t13-,14-/m0/s1.
What are the key properties of N-(cyclohexylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide?
N-(cyclohexylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide has a molecular weight of 284.40 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 128982897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).