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

C16H29NO5 — CID 75368032

IUPACN-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide
SMILESCOCCOCC1(CNC(=O)C2CCCC2)C[C@@H](O)[C@@H](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)/t13-,14+,16?
InChIKeyLLMHHTKQXBQMLZ-MZBDJJRSSA-N
MW315.41 g/mol
LogP0.46
Rot. Bonds8

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

N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide (PubChem CID 75368032) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide
PubChem CID75368032
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC NameN-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide
SMILESCOCCOCC1(CNC(=O)C2CCCC2)C[C@@H](O)[C@@H](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)/t13-,14+,16?
InChIKeyLLMHHTKQXBQMLZ-MZBDJJRSSA-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'}

Analyze N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide (CID 75368032) is N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide is COCCOCC1(CNC(=O)C2CCCC2)C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide?
The InChIKey is LLMHHTKQXBQMLZ-MZBDJJRSSA-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)/t13-,14+,16?.
What are the key properties of N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide?
N-[[(3R,4S)-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-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 75368032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).