N-[(2-aminocyclohexyl)methyl]-3-ethoxypropanamide

C12H24N2O2 — CID 64927440

IUPACN-[(2-aminocyclohexyl)methyl]-3-ethoxypropanamide
SMILESCCOCCC(=O)NCC1CCCCC1N
InChIInChI=1S/C12H24N2O2/c1-2-16-8-7-12(15)14-9-10-5-3-4-6-11(10)13/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyHRVYSIUUIMJIQS-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds6

About N-[(2-aminocyclohexyl)methyl]-3-ethoxypropanamide

N-[(2-aminocyclohexyl)methyl]-3-ethoxypropanamide (PubChem CID 64927440) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[(2-aminocyclohexyl)methyl]-3-ethoxypropanamide.

Molecular Properties

Compound NameN-[(2-aminocyclohexyl)methyl]-3-ethoxypropanamide
PubChem CID64927440
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[(2-aminocyclohexyl)methyl]-3-ethoxypropanamide
SMILESCCOCCC(=O)NCC1CCCCC1N
InChIInChI=1S/C12H24N2O2/c1-2-16-8-7-12(15)14-9-10-5-3-4-6-11(10)13/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyHRVYSIUUIMJIQS-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-3-ethoxypropanamide
CID 103805745
1-[(2-aminocyclohexyl)methyl]-3-ethylurea
CID 64927851
3-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]propanamide
CID 103798579
N-(2-cyclopentyl-2-hydroxyethyl)-3-ethoxypropanamide
CID 111425977
N-[(2-aminocyclohexyl)methyl]-2-cyclobutylacetamide
CID 103166988
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-ethoxypropanamide
CID 122559584
3-ethoxy-N-ethylpropanamide
CID 58030283
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethoxyacetamide
CID 114307036
2-(2-aminocyclohexyl)-N,N-bis(2-ethoxyethyl)acetamide
CID 82940425
N-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide
CID 64927836
N'-(2-cyclopentylacetyl)-3-ethoxypropanehydrazide
CID 54786394
N-[(3-aminocyclohexyl)methyl]-3-propoxypropanamide
CID 106123778

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclohexyl)methyl]-3-ethoxypropanamide?
The IUPAC name of N-[(2-aminocyclohexyl)methyl]-3-ethoxypropanamide (CID 64927440) is N-[(2-aminocyclohexyl)methyl]-3-ethoxypropanamide.
What is the SMILES notation for N-[(2-aminocyclohexyl)methyl]-3-ethoxypropanamide?
The canonical SMILES for N-[(2-aminocyclohexyl)methyl]-3-ethoxypropanamide is CCOCCC(=O)NCC1CCCCC1N.
What is the InChIKey of N-[(2-aminocyclohexyl)methyl]-3-ethoxypropanamide?
The InChIKey is HRVYSIUUIMJIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-16-8-7-12(15)14-9-10-5-3-4-6-11(10)13/h10-11H,2-9,13H2,1H3,(H,14,15).
What are the key properties of N-[(2-aminocyclohexyl)methyl]-3-ethoxypropanamide?
N-[(2-aminocyclohexyl)methyl]-3-ethoxypropanamide has a molecular weight of 228.34 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclohexyl)methyl]-3-ethoxypropanamide is sourced from PubChem (CID 64927440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).