2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide

C13H26N2O3 — CID 114164661

IUPAC2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
SMILESCOCCC(C)(O)CNC(=O)CC1(N)CCCC1
InChIInChI=1S/C13H26N2O3/c1-12(17,7-8-18-2)10-15-11(16)9-13(14)5-3-4-6-13/h17H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyANUBZQHCSQQYDE-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.55
Rot. Bonds7

About 2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide

2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide (PubChem CID 114164661) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
PubChem CID114164661
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
SMILESCOCCC(C)(O)CNC(=O)CC1(N)CCCC1
InChIInChI=1S/C13H26N2O3/c1-12(17,7-8-18-2)10-15-11(16)9-13(14)5-3-4-6-13/h17H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyANUBZQHCSQQYDE-UHFFFAOYSA-N
XLogP0.55
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide 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-(1-aminocyclohexyl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 113450228
2-(1-aminocyclopentyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 64679664
N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 103712321
1-[2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 104623085
2-(1-aminocyclobutyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 79854561
N-(2-hydroxy-4-methoxy-2-methylbutyl)but-3-ynamide
CID 106249974
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944415
2-(1-aminocyclopentyl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65106412
2-tert-butylsulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712613
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide
CID 106254673
2-(1-aminocyclopentyl)-N-(2-methyl-2-methylsulfonylpropyl)acetamide
CID 79551122
N-(2-hydroxy-4-methoxy-2-methylbutyl)pent-4-enamide
CID 103712530

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide?
The IUPAC name of 2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide (CID 114164661) is 2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide?
The canonical SMILES for 2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide is COCCC(C)(O)CNC(=O)CC1(N)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide?
The InChIKey is ANUBZQHCSQQYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-12(17,7-8-18-2)10-15-11(16)9-13(14)5-3-4-6-13/h17H,3-10,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide?
2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide has a molecular weight of 258.36 g/mol, XLogP of 0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide is sourced from PubChem (CID 114164661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).