N-[[3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide

C16H29NO5 — CID 162796190

IUPACN-[[3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide
SMILESCOCCOCC1(CNC(=O)C2CCCC2)CC(O)C(O)C1
InChIInChI=1S/C16H29NO5/c1-21-6-7-22-11-16(8-13(18)14(19)9-16)10-17-15(20)12-4-2-3-5-12/h12-14,18-19H,2-11H2,1H3,(H,17,20)
InChIKeyLLMHHTKQXBQMLZ-UHFFFAOYSA-N
MW315.41 g/mol
LogP0.46
Rot. Bonds8

About N-[[3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide

N-[[3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide (PubChem CID 162796190) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-[[3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide
PubChem CID162796190
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC NameN-[[3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide
SMILESCOCCOCC1(CNC(=O)C2CCCC2)CC(O)C(O)C1
InChIInChI=1S/C16H29NO5/c1-21-6-7-22-11-16(8-13(18)14(19)9-16)10-17-15(20)12-4-2-3-5-12/h12-14,18-19H,2-11H2,1H3,(H,17,20)
InChIKeyLLMHHTKQXBQMLZ-UHFFFAOYSA-N
XLogP0.46
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide
CID 75368032
N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide
CID 75368025
N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide
CID 75368036
N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide
CID 75368088
cis-(1S,2R)-4-[(cyclopentylmethylamino)methyl]-4-(2-methoxyethoxymethyl)cyclopentane-1,2-diol
CID 75368123
N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]acetamide
CID 75368022
N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]acetamide
CID 75368071
N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide
CID 75368076
cis-(1S,2R)-4-[(cyclopentylmethylamino)methyl]-4-(2-methoxyethoxymethyl)cyclopentane-1,2-diol;hydrochloride
CID 146119616
N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide
CID 162796869
N-[[3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide
CID 162796873
N-[[3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide
CID 162796903

Frequently Asked Questions

What is the IUPAC name of N-[[3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide (CID 162796190) is N-[[3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide is COCCOCC1(CNC(=O)C2CCCC2)CC(O)C(O)C1.
What is the InChIKey of N-[[3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide?
The InChIKey is LLMHHTKQXBQMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO5/c1-21-6-7-22-11-16(8-13(18)14(19)9-16)10-17-15(20)12-4-2-3-5-12/h12-14,18-19H,2-11H2,1H3,(H,17,20).
What are the key properties of N-[[3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide?
N-[[3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide has a molecular weight of 315.41 g/mol, XLogP of 0.46, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 162796190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).