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

C8H15ClN2O — CID 106437577

IUPAC2-[(3-chloro-2-methylprop-2-enyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCC(C)=CCl
InChIInChI=1S/C8H15ClN2O/c1-6(4-9)5-11-7(2)8(12)10-3/h4,7,11H,5H2,1-3H3,(H,10,12)
InChIKeyJBNFAOALCWQGKE-UHFFFAOYSA-N
MW190.67 g/mol
LogP0.85
Rot. Bonds4

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

2-[(3-chloro-2-methylprop-2-enyl)amino]-N-methylpropanamide (PubChem CID 106437577) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylprop-2-enyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(3-chloro-2-methylprop-2-enyl)amino]-N-methylpropanamide
PubChem CID106437577
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC Name2-[(3-chloro-2-methylprop-2-enyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCC(C)=CCl
InChIInChI=1S/C8H15ClN2O/c1-6(4-9)5-11-7(2)8(12)10-3/h4,7,11H,5H2,1-3H3,(H,10,12)
InChIKeyJBNFAOALCWQGKE-UHFFFAOYSA-N
XLogP0.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol
CID 106437749
2-[(3-chloro-2-methylprop-2-enyl)amino]-N,N-diethylpropanamide
CID 106438046
N-(1-bromopropan-2-yl)-3-chloro-2-methylprop-2-en-1-amine
CID 106440126
2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutanoic acid
CID 106439197
2-[[2-(carbamoylamino)-2-oxoethyl]amino]-N-methylpropanamide
CID 61464497
4-[(3-chloro-2-methylprop-2-enyl)amino]pentan-1-ol
CID 106437903
N-methyl-2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanamide
CID 61489451
methyl 2-[(3-chloro-2-methylprop-2-enyl)amino]-4-methylpentanoate
CID 106437639
2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutan-1-ol
CID 106438226
3-chloro-N-[(1R)-1-cyclohexylethyl]-2-methylprop-2-en-1-amine
CID 106437955
N-methyl-2-(prop-2-ynylamino)propanamide
CID 43086395
2-(chloroamino)-N-methylpropanamide
CID 19827989

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylprop-2-enyl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(3-chloro-2-methylprop-2-enyl)amino]-N-methylpropanamide (CID 106437577) is 2-[(3-chloro-2-methylprop-2-enyl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(3-chloro-2-methylprop-2-enyl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(3-chloro-2-methylprop-2-enyl)amino]-N-methylpropanamide is CNC(=O)C(C)NCC(C)=CCl.
What is the InChIKey of 2-[(3-chloro-2-methylprop-2-enyl)amino]-N-methylpropanamide?
The InChIKey is JBNFAOALCWQGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O/c1-6(4-9)5-11-7(2)8(12)10-3/h4,7,11H,5H2,1-3H3,(H,10,12).
What are the key properties of 2-[(3-chloro-2-methylprop-2-enyl)amino]-N-methylpropanamide?
2-[(3-chloro-2-methylprop-2-enyl)amino]-N-methylpropanamide has a molecular weight of 190.67 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methylprop-2-enyl)amino]-N-methylpropanamide is sourced from PubChem (CID 106437577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).