2-[[(E)-but-2-enyl]amino]-N-(2-methoxyethyl)propanamide

C10H20N2O2 — CID 107899218

IUPAC2-[[(E)-but-2-enyl]amino]-N-(2-methoxyethyl)propanamide
SMILESC/C=C/CNC(C)C(=O)NCCOC
InChIInChI=1S/C10H20N2O2/c1-4-5-6-11-9(2)10(13)12-7-8-14-3/h4-5,9,11H,6-8H2,1-3H3,(H,12,13)/b5-4+
InChIKeyLDNLBSIRDNCVIF-SNAWJCMRSA-N
MW200.28 g/mol
LogP0.30
Rot. Bonds7

About 2-[[(E)-but-2-enyl]amino]-N-(2-methoxyethyl)propanamide

2-[[(E)-but-2-enyl]amino]-N-(2-methoxyethyl)propanamide (PubChem CID 107899218) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[[(E)-but-2-enyl]amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[[(E)-but-2-enyl]amino]-N-(2-methoxyethyl)propanamide
PubChem CID107899218
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-[[(E)-but-2-enyl]amino]-N-(2-methoxyethyl)propanamide
SMILESC/C=C/CNC(C)C(=O)NCCOC
InChIInChI=1S/C10H20N2O2/c1-4-5-6-11-9(2)10(13)12-7-8-14-3/h4-5,9,11H,6-8H2,1-3H3,(H,12,13)/b5-4+
InChIKeyLDNLBSIRDNCVIF-SNAWJCMRSA-N
XLogP0.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-methylbut-2-enoic acid
CID 103262873
2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide
CID 64913516
N-(2-methoxyethyl)-2-(2-methylbutylamino)propanamide
CID 62694565
N-(2-methoxyethyl)-2-(propan-2-ylamino)propanamide
CID 43086718
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide
CID 113219588
N-(2-methoxyethyl)-2-(nonylamino)propanamide
CID 115574851
2-[(4-hydroxy-2-methylbutyl)amino]-N-(2-methoxyethyl)propanamide
CID 66106825
2-(2,2-dimethylhydrazinyl)-N-(2-methoxyethyl)propanamide
CID 83013633
2-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]-N-(2-methoxyethyl)propanamide
CID 113407032
2-(3-ethylsulfonylpropylamino)-N-(2-methoxyethyl)propanamide
CID 113407022
2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
CID 113407011
N-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 43087093

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-but-2-enyl]amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[[(E)-but-2-enyl]amino]-N-(2-methoxyethyl)propanamide (CID 107899218) is 2-[[(E)-but-2-enyl]amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[[(E)-but-2-enyl]amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[[(E)-but-2-enyl]amino]-N-(2-methoxyethyl)propanamide is C/C=C/CNC(C)C(=O)NCCOC.
What is the InChIKey of 2-[[(E)-but-2-enyl]amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is LDNLBSIRDNCVIF-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-5-6-11-9(2)10(13)12-7-8-14-3/h4-5,9,11H,6-8H2,1-3H3,(H,12,13)/b5-4+.
What are the key properties of 2-[[(E)-but-2-enyl]amino]-N-(2-methoxyethyl)propanamide?
2-[[(E)-but-2-enyl]amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 200.28 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-2-enyl]amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 107899218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).