2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide

C9H16ClNO — CID 24703589

IUPAC2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CN(CC)C(=O)C(C)Cl
InChIInChI=1S/C9H16ClNO/c1-5-11(6-7(2)3)9(12)8(4)10/h8H,2,5-6H2,1,3-4H3
InChIKeyMXCLKCZZDWCTNJ-UHFFFAOYSA-N
MW189.69 g/mol
LogP2.04
Rot. Bonds4

About 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide

2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide (PubChem CID 24703589) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide
PubChem CID24703589
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CN(CC)C(=O)C(C)Cl
InChIInChI=1S/C9H16ClNO/c1-5-11(6-7(2)3)9(12)8(4)10/h8H,2,5-6H2,1,3-4H3
InChIKeyMXCLKCZZDWCTNJ-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propanamide
CID 60660134
2-chloro-N-(cyanomethyl)-N-ethylpropanamide
CID 131223053
(2R)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)pentanamide
CID 107568096
3-amino-N-ethyl-2-methoxy-N-(2-methylprop-2-enyl)propanamide
CID 106111177
2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 134037927
(2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide
CID 92660582
2,2-dichloro-N,N-diethylacetamide
CID 141409453
2-chloro-N,N-dihexylpropanamide
CID 533081
2,2-dichloro-N-ethyl-N-(2,3,3-trichloroprop-2-enyl)acetamide
CID 20554032
methyl 2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoacetate
CID 112616658
2,2-dichloro-N,N-diethylacetamide;N,N-diethylacetamide
CID 174887176
2-chloro-N,N-bis(3-methylbutyl)propanamide
CID 60718201

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
The IUPAC name of 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide (CID 24703589) is 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide is C=C(C)CN(CC)C(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
The InChIKey is MXCLKCZZDWCTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-5-11(6-7(2)3)9(12)8(4)10/h8H,2,5-6H2,1,3-4H3.
What are the key properties of 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide has a molecular weight of 189.69 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide is sourced from PubChem (CID 24703589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).