2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropanamide

C12H22N2O2 — CID 81082235

IUPAC2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C12H22N2O2/c1-16-9-11(13)12(15)14-8-7-10-5-3-2-4-6-10/h5,11H,2-4,6-9,13H2,1H3,(H,14,15)
InChIKeyKQLKKUVJLYXBIO-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.97
Rot. Bonds6

About 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropanamide

2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropanamide (PubChem CID 81082235) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropanamide
PubChem CID81082235
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C12H22N2O2/c1-16-9-11(13)12(15)14-8-7-10-5-3-2-4-6-10/h5,11H,2-4,6-9,13H2,1H3,(H,14,15)
InChIKeyKQLKKUVJLYXBIO-UHFFFAOYSA-N
XLogP0.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.97
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-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2289204
2-[[2-(Cyclohexen-1-yl)acetyl]amino]-3-methoxypropanamide
CID 75391960
N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-(3-methoxypropyl)ethanediamide
CID 3126764
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-amino-N-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide
CID 144320417
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 3226626
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)azanium
CID 7406234
N-[2-(cyclohexen-1-yl)ethyl]-N'-propan-2-yloxamide
CID 21212830
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropanamide (CID 81082235) is 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropanamide is COCC(N)C(=O)NCCC1=CCCCC1.
What is the InChIKey of 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropanamide?
The InChIKey is KQLKKUVJLYXBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-16-9-11(13)12(15)14-8-7-10-5-3-2-4-6-10/h5,11H,2-4,6-9,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropanamide?
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropanamide has a molecular weight of 226.32 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropanamide is sourced from PubChem (CID 81082235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).