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

C11H21ClN2O — CID 106438046

IUPAC2-[(3-chloro-2-methylprop-2-enyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NCC(C)=CCl
InChIInChI=1S/C11H21ClN2O/c1-5-14(6-2)11(15)10(4)13-8-9(3)7-12/h7,10,13H,5-6,8H2,1-4H3
InChIKeyDEIVVYAFSXYARX-UHFFFAOYSA-N
MW232.75 g/mol
LogP1.98
Rot. Bonds6

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

2-[(3-chloro-2-methylprop-2-enyl)amino]-N,N-diethylpropanamide (PubChem CID 106438046) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylprop-2-enyl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[(3-chloro-2-methylprop-2-enyl)amino]-N,N-diethylpropanamide
PubChem CID106438046
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name2-[(3-chloro-2-methylprop-2-enyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NCC(C)=CCl
InChIInChI=1S/C11H21ClN2O/c1-5-14(6-2)11(15)10(4)13-8-9(3)7-12/h7,10,13H,5-6,8H2,1-4H3
InChIKeyDEIVVYAFSXYARX-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-diethylpropanamide
CID 43420346
2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol
CID 106437749
N,N-diethyl-2-(3-fluoropropylamino)propanamide
CID 115731800
N-(1-bromopropan-2-yl)-3-chloro-2-methylprop-2-en-1-amine
CID 106440126
N,N-diethyl-2-[(3-hydroxy-2-methylpropyl)amino]propanamide
CID 65036216
2-(1-aminopropan-2-ylamino)-N,N-diethylpropanamide
CID 103388840
N,N-diethyl-2-(pentan-2-ylamino)propanamide
CID 43113164
2-amino-3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]propanamide
CID 103262824
4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 43473350
N,N-diethyl-2-(methoxyamino)propanamide
CID 60721258
2-[2-(dimethylcarbamoylamino)ethylamino]-N,N-diethylpropanamide
CID 83120791
N,N-diethyl-2-(1-methylsulfanylpropan-2-ylamino)propanamide
CID 115639005

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylprop-2-enyl)amino]-N,N-diethylpropanamide?
The IUPAC name of 2-[(3-chloro-2-methylprop-2-enyl)amino]-N,N-diethylpropanamide (CID 106438046) is 2-[(3-chloro-2-methylprop-2-enyl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[(3-chloro-2-methylprop-2-enyl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[(3-chloro-2-methylprop-2-enyl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)NCC(C)=CCl.
What is the InChIKey of 2-[(3-chloro-2-methylprop-2-enyl)amino]-N,N-diethylpropanamide?
The InChIKey is DEIVVYAFSXYARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2O/c1-5-14(6-2)11(15)10(4)13-8-9(3)7-12/h7,10,13H,5-6,8H2,1-4H3.
What are the key properties of 2-[(3-chloro-2-methylprop-2-enyl)amino]-N,N-diethylpropanamide?
2-[(3-chloro-2-methylprop-2-enyl)amino]-N,N-diethylpropanamide has a molecular weight of 232.75 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 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,N-diethylpropanamide is sourced from PubChem (CID 106438046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).