3-[(3-chloro-2-methylprop-2-enyl)amino]-N-(2-methoxyethyl)propanamide

C10H19ClN2O2 — CID 106438054

IUPAC3-[(3-chloro-2-methylprop-2-enyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNCC(C)=CCl
InChIInChI=1S/C10H19ClN2O2/c1-9(7-11)8-12-4-3-10(14)13-5-6-15-2/h7,12H,3-6,8H2,1-2H3,(H,13,14)
InChIKeyQTCSEIARIVCIGU-UHFFFAOYSA-N
MW234.73 g/mol
LogP0.87
Rot. Bonds8

About 3-[(3-chloro-2-methylprop-2-enyl)amino]-N-(2-methoxyethyl)propanamide

3-[(3-chloro-2-methylprop-2-enyl)amino]-N-(2-methoxyethyl)propanamide (PubChem CID 106438054) has the molecular formula C10H19ClN2O2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 3-[(3-chloro-2-methylprop-2-enyl)amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[(3-chloro-2-methylprop-2-enyl)amino]-N-(2-methoxyethyl)propanamide
PubChem CID106438054
Molecular FormulaC10H19ClN2O2
Molecular Weight234.73 g/mol
Exact Mass234.11
IUPAC Name3-[(3-chloro-2-methylprop-2-enyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNCC(C)=CCl
InChIInChI=1S/C10H19ClN2O2/c1-9(7-11)8-12-4-3-10(14)13-5-6-15-2/h7,12H,3-6,8H2,1-2H3,(H,13,14)
InChIKeyQTCSEIARIVCIGU-UHFFFAOYSA-N
XLogP0.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
N-(2-methoxyethyl)-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanamide
CID 113410009
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide
CID 107034705
N-(2-methoxyethyl)-4-(methylamino)butanamide
CID 60841118
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 112701684
5-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]pentanamide
CID 112549769
methyl 2-hydroxy-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-2-methylpropanoate
CID 104645029
tert-butyl 3-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoate
CID 103263911
N-(2-methoxyethyl)-3-(4-methylsulfanylbutylamino)propanamide
CID 103088362

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-methylprop-2-enyl)amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[(3-chloro-2-methylprop-2-enyl)amino]-N-(2-methoxyethyl)propanamide (CID 106438054) is 3-[(3-chloro-2-methylprop-2-enyl)amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[(3-chloro-2-methylprop-2-enyl)amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[(3-chloro-2-methylprop-2-enyl)amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNCC(C)=CCl.
What is the InChIKey of 3-[(3-chloro-2-methylprop-2-enyl)amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is QTCSEIARIVCIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O2/c1-9(7-11)8-12-4-3-10(14)13-5-6-15-2/h7,12H,3-6,8H2,1-2H3,(H,13,14).
What are the key properties of 3-[(3-chloro-2-methylprop-2-enyl)amino]-N-(2-methoxyethyl)propanamide?
3-[(3-chloro-2-methylprop-2-enyl)amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 234.73 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-methylprop-2-enyl)amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 106438054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).