3-amino-N-cyclohex-3-en-1-yl-2-methoxypropanamide

C10H18N2O2 — CID 106113060

IUPAC3-amino-N-cyclohex-3-en-1-yl-2-methoxypropanamide
SMILESCOC(CN)C(=O)NC1CC=CCC1
InChIInChI=1S/C10H18N2O2/c1-14-9(7-11)10(13)12-8-5-3-2-4-6-8/h2-3,8-9H,4-7,11H2,1H3,(H,12,13)
InChIKeyCDVXWKUDVBUKSU-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.19
Rot. Bonds4

About 3-amino-N-cyclohex-3-en-1-yl-2-methoxypropanamide

3-amino-N-cyclohex-3-en-1-yl-2-methoxypropanamide (PubChem CID 106113060) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-amino-N-cyclohex-3-en-1-yl-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-cyclohex-3-en-1-yl-2-methoxypropanamide
PubChem CID106113060
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-amino-N-cyclohex-3-en-1-yl-2-methoxypropanamide
SMILESCOC(CN)C(=O)NC1CC=CCC1
InChIInChI=1S/C10H18N2O2/c1-14-9(7-11)10(13)12-8-5-3-2-4-6-8/h2-3,8-9H,4-7,11H2,1H3,(H,12,13)
InChIKeyCDVXWKUDVBUKSU-UHFFFAOYSA-N
XLogP0.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.19
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

N-(1-{1-[(2E)-but-2-en-1-yl]-1,2,3,6-tetrahydropyridin-4-yl}propyl)-2-methoxyacetamide
CID 56713676
2-hex-4-en-3-yloxy-N-piperidin-4-ylacetamide
CID 123983113
2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-N-propan-2-ylbutanamide
CID 151055579
(13S)-17-[(1S)-1-methoxypropyl]-1,5,10-triazabicyclo[11.4.0]heptadec-14-en-11-one
CID 159633587
N-[(E)-hex-2-enyl]-2-methoxypropanamide
CID 178011429
N-cyclohex-2-en-1-yl-2-methoxyacetamide
CID 13421091
N-cyclohex-3-en-1-yl-2-ethoxyacetamide
CID 64458097
N-cyclohex-3-en-1-yl-2-methoxyacetamide
CID 64460707
N-cyclohex-3-en-1-yl-2-piperidin-4-yloxyacetamide
CID 65701705
N-cyclohex-3-en-1-ylmorpholine-2-carboxamide
CID 65701905
2-(2-aminoethoxy)-N-cyclohex-3-en-1-ylacetamide
CID 79479460
N-[(1S)-1-[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]propyl]-2-methoxyacetamide
CID 95205314

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclohex-3-en-1-yl-2-methoxypropanamide?
The IUPAC name of 3-amino-N-cyclohex-3-en-1-yl-2-methoxypropanamide (CID 106113060) is 3-amino-N-cyclohex-3-en-1-yl-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-cyclohex-3-en-1-yl-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-cyclohex-3-en-1-yl-2-methoxypropanamide is COC(CN)C(=O)NC1CC=CCC1.
What is the InChIKey of 3-amino-N-cyclohex-3-en-1-yl-2-methoxypropanamide?
The InChIKey is CDVXWKUDVBUKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-14-9(7-11)10(13)12-8-5-3-2-4-6-8/h2-3,8-9H,4-7,11H2,1H3,(H,12,13).
What are the key properties of 3-amino-N-cyclohex-3-en-1-yl-2-methoxypropanamide?
3-amino-N-cyclohex-3-en-1-yl-2-methoxypropanamide has a molecular weight of 198.27 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclohex-3-en-1-yl-2-methoxypropanamide is sourced from PubChem (CID 106113060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).