2-(hex-5-en-2-ylamino)-3-methoxypropanamide

C10H20N2O2 — CID 104584141

IUPAC2-(hex-5-en-2-ylamino)-3-methoxypropanamide
SMILESC=CCCC(C)NC(COC)C(N)=O
InChIInChI=1S/C10H20N2O2/c1-4-5-6-8(2)12-9(7-14-3)10(11)13/h4,8-9,12H,1,5-7H2,2-3H3,(H2,11,13)
InChIKeySPRCQTIQFPEJHE-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.43
Rot. Bonds8

About 2-(hex-5-en-2-ylamino)-3-methoxypropanamide

2-(hex-5-en-2-ylamino)-3-methoxypropanamide (PubChem CID 104584141) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(hex-5-en-2-ylamino)-3-methoxypropanamide.

Molecular Properties

Compound Name2-(hex-5-en-2-ylamino)-3-methoxypropanamide
PubChem CID104584141
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-(hex-5-en-2-ylamino)-3-methoxypropanamide
SMILESC=CCCC(C)NC(COC)C(N)=O
InChIInChI=1S/C10H20N2O2/c1-4-5-6-8(2)12-9(7-14-3)10(11)13/h4,8-9,12H,1,5-7H2,2-3H3,(H2,11,13)
InChIKeySPRCQTIQFPEJHE-UHFFFAOYSA-N
XLogP0.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
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

(2S)-2-[(2-methoxyacetyl)amino]-N-methylpent-4-enamide
CID 89101471
2-acetamido-3-methoxy-N-(2-methylidenebut-3-enyl)propanamide
CID 123745639
N-cyclohex-3-en-1-yl-3-ethoxy-2-(methylamino)propanamide
CID 141979219
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide
CID 62066528
2-(cyclohex-3-en-1-ylamino)-N-(2-methoxyethyl)propanamide
CID 65678727
2-amino-N-cyclohex-3-en-1-yl-3-methoxypropanamide
CID 81101230
2-amino-N-(2-methoxyethyl)pent-4-enamide
CID 81772296
2-amino-N-(1-methoxypropan-2-yl)pent-4-enamide
CID 81772747
2-amino-N-(2-ethoxyethyl)pent-4-enamide
CID 81773431
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)pent-4-enamide
CID 81775069
2-amino-N-(2-methoxyethyl)-N-pentan-3-ylpent-4-enamide
CID 81775304
2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylpent-4-enamide
CID 81775312

Frequently Asked Questions

What is the IUPAC name of 2-(hex-5-en-2-ylamino)-3-methoxypropanamide?
The IUPAC name of 2-(hex-5-en-2-ylamino)-3-methoxypropanamide (CID 104584141) is 2-(hex-5-en-2-ylamino)-3-methoxypropanamide.
What is the SMILES notation for 2-(hex-5-en-2-ylamino)-3-methoxypropanamide?
The canonical SMILES for 2-(hex-5-en-2-ylamino)-3-methoxypropanamide is C=CCCC(C)NC(COC)C(N)=O.
What is the InChIKey of 2-(hex-5-en-2-ylamino)-3-methoxypropanamide?
The InChIKey is SPRCQTIQFPEJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-5-6-8(2)12-9(7-14-3)10(11)13/h4,8-9,12H,1,5-7H2,2-3H3,(H2,11,13).
What are the key properties of 2-(hex-5-en-2-ylamino)-3-methoxypropanamide?
2-(hex-5-en-2-ylamino)-3-methoxypropanamide has a molecular weight of 200.28 g/mol, XLogP of 0.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hex-5-en-2-ylamino)-3-methoxypropanamide is sourced from PubChem (CID 104584141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).