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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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).