2-[(1-aminocyclohexyl)methoxy]-N-(3-methoxypropyl)acetamide

C13H26N2O3 — CID 64572066

IUPAC2-[(1-aminocyclohexyl)methoxy]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COCC1(N)CCCCC1
InChIInChI=1S/C13H26N2O3/c1-17-9-5-8-15-12(16)10-18-11-13(14)6-3-2-4-7-13/h2-11,14H2,1H3,(H,15,16)
InChIKeyBEONUNDVCBEZEO-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.82
Rot. Bonds8

About 2-[(1-aminocyclohexyl)methoxy]-N-(3-methoxypropyl)acetamide

2-[(1-aminocyclohexyl)methoxy]-N-(3-methoxypropyl)acetamide (PubChem CID 64572066) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[(1-aminocyclohexyl)methoxy]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(1-aminocyclohexyl)methoxy]-N-(3-methoxypropyl)acetamide
PubChem CID64572066
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[(1-aminocyclohexyl)methoxy]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COCC1(N)CCCCC1
InChIInChI=1S/C13H26N2O3/c1-17-9-5-8-15-12(16)10-18-11-13(14)6-3-2-4-7-13/h2-11,14H2,1H3,(H,15,16)
InChIKeyBEONUNDVCBEZEO-UHFFFAOYSA-N
XLogP0.82
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119404560
2-(2-methoxyethoxy)-N-(3-methoxypropyl)acetamide
CID 103601588
2-(1-aminocyclopentyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 64679664
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclohexan-1-amine
CID 104564416
2-(1-aminocyclobutyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 79854561
2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylacetamide
CID 64549156
2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide
CID 64572690
2-(2-aminoethoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79473525
2-[(1-aminocycloheptyl)methoxy]-N-benzylacetamide
CID 64549778
1-[(1-aminocycloheptyl)methoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106991237
2-[(1-aminocyclopentyl)methoxy]-N-pentan-3-ylacetamide
CID 64572457
2-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 113220096

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclohexyl)methoxy]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[(1-aminocyclohexyl)methoxy]-N-(3-methoxypropyl)acetamide (CID 64572066) is 2-[(1-aminocyclohexyl)methoxy]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[(1-aminocyclohexyl)methoxy]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[(1-aminocyclohexyl)methoxy]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)COCC1(N)CCCCC1.
What is the InChIKey of 2-[(1-aminocyclohexyl)methoxy]-N-(3-methoxypropyl)acetamide?
The InChIKey is BEONUNDVCBEZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-17-9-5-8-15-12(16)10-18-11-13(14)6-3-2-4-7-13/h2-11,14H2,1H3,(H,15,16).
What are the key properties of 2-[(1-aminocyclohexyl)methoxy]-N-(3-methoxypropyl)acetamide?
2-[(1-aminocyclohexyl)methoxy]-N-(3-methoxypropyl)acetamide has a molecular weight of 258.36 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclohexyl)methoxy]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 64572066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).