2-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide

C11H20N2O2 — CID 81089399

IUPAC2-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCC1CC=CCC1
InChIInChI=1S/C11H20N2O2/c1-15-8-10(12)11(14)13-7-9-5-3-2-4-6-9/h2-3,9-10H,4-8,12H2,1H3,(H,13,14)
InChIKeyFJBFEFQRHOWXHB-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.43
Rot. Bonds5

About 2-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide

2-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide (PubChem CID 81089399) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide
PubChem CID81089399
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCC1CC=CCC1
InChIInChI=1S/C11H20N2O2/c1-15-8-10(12)11(14)13-7-9-5-3-2-4-6-9/h2-3,9-10H,4-8,12H2,1H3,(H,13,14)
InChIKeyFJBFEFQRHOWXHB-UHFFFAOYSA-N
XLogP0.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,2S,3R,4R)-2-[acetyl(methyl)amino]-3-methoxy-N,4-dimethylhept-5-enamide
CID 89828923
2-amino-3-hydroxy-N-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]propanamide
CID 123831740
2-acetamido-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-methoxypropanamide
CID 123897249
N-cyclohex-3-en-1-yl-3-ethoxy-2-(methylamino)propanamide
CID 141979219
2-amino-3-methoxy-N-[(2-methylcyclohexa-1,5-dien-1-yl)methyl]propanamide
CID 142825303
(2R)-2-amino-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-methoxypropanamide
CID 144304747
(2R)-2-(1-aminoethylideneamino)-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide
CID 163444289
(1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 27742839
(1S)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 27742840
N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 42920555
2-(cyclohex-3-en-1-ylmethylamino)-N-propylpropanamide
CID 43224054
2-(cyclohex-3-en-1-ylmethylamino)-N-ethylpropanamide
CID 43400096

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide?
The IUPAC name of 2-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide (CID 81089399) is 2-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide is COCC(N)C(=O)NCC1CC=CCC1.
What is the InChIKey of 2-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide?
The InChIKey is FJBFEFQRHOWXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-8-10(12)11(14)13-7-9-5-3-2-4-6-9/h2-3,9-10H,4-8,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide?
2-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide has a molecular weight of 212.29 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide is sourced from PubChem (CID 81089399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).