2-amino-5-methoxy-N-(oxan-3-ylmethyl)pentanamide

C12H24N2O3 — CID 81088387

IUPAC2-amino-5-methoxy-N-(oxan-3-ylmethyl)pentanamide
SMILESCOCCCC(N)C(=O)NCC1CCCOC1
InChIInChI=1S/C12H24N2O3/c1-16-6-3-5-11(13)12(15)14-8-10-4-2-7-17-9-10/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyLQWSSWDZNNRPSS-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.28
Rot. Bonds7

About 2-amino-5-methoxy-N-(oxan-3-ylmethyl)pentanamide

2-amino-5-methoxy-N-(oxan-3-ylmethyl)pentanamide (PubChem CID 81088387) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-(oxan-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-(oxan-3-ylmethyl)pentanamide
PubChem CID81088387
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-amino-5-methoxy-N-(oxan-3-ylmethyl)pentanamide
SMILESCOCCCC(N)C(=O)NCC1CCCOC1
InChIInChI=1S/C12H24N2O3/c1-16-6-3-5-11(13)12(15)14-8-10-4-2-7-17-9-10/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyLQWSSWDZNNRPSS-UHFFFAOYSA-N
XLogP0.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-5-methoxy-N-(oxan-3-ylmethyl)pentanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-4-methoxy-N-(oxan-3-ylmethyl)butanamide
CID 62473603
2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide
CID 81081044
2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide
CID 106135403
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypentanamide
CID 81083023
2-amino-N-(cyclobutylmethyl)-3-methoxypropanamide
CID 81080963
2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide
CID 62472979
3-methoxy-2-(oxan-3-ylmethylcarbamoylamino)propanoic acid
CID 81085795
2-amino-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]butanamide
CID 62475604
2-amino-4-methyl-N-(oxolan-3-ylmethyl)pentanamide
CID 60921018
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
2-amino-5-methoxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide
CID 81102695
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxypentanamide
CID 81080945

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-(oxan-3-ylmethyl)pentanamide?
The IUPAC name of 2-amino-5-methoxy-N-(oxan-3-ylmethyl)pentanamide (CID 81088387) is 2-amino-5-methoxy-N-(oxan-3-ylmethyl)pentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-(oxan-3-ylmethyl)pentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-(oxan-3-ylmethyl)pentanamide is COCCCC(N)C(=O)NCC1CCCOC1.
What is the InChIKey of 2-amino-5-methoxy-N-(oxan-3-ylmethyl)pentanamide?
The InChIKey is LQWSSWDZNNRPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-16-6-3-5-11(13)12(15)14-8-10-4-2-7-17-9-10/h10-11H,2-9,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-5-methoxy-N-(oxan-3-ylmethyl)pentanamide?
2-amino-5-methoxy-N-(oxan-3-ylmethyl)pentanamide has a molecular weight of 244.33 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-(oxan-3-ylmethyl)pentanamide is sourced from PubChem (CID 81088387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).