N-[2-(2,4-dichlorophenyl)ethyl]-2-(dipropylamino)acetamide

C16H24Cl2N2O — CID 109006595

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-(dipropylamino)acetamide
SMILESCCCN(CCC)CC(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H24Cl2N2O/c1-3-9-20(10-4-2)12-16(21)19-8-7-13-5-6-14(17)11-15(13)18/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,19,21)
InChIKeyKKSZRIYRHBFJRJ-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.77
Rot. Bonds9

About N-[2-(2,4-dichlorophenyl)ethyl]-2-(dipropylamino)acetamide

N-[2-(2,4-dichlorophenyl)ethyl]-2-(dipropylamino)acetamide (PubChem CID 109006595) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-(dipropylamino)acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(dipropylamino)acetamide
PubChem CID109006595
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(dipropylamino)acetamide
SMILESCCCN(CCC)CC(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H24Cl2N2O/c1-3-9-20(10-4-2)12-16(21)19-8-7-13-5-6-14(17)11-15(13)18/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,19,21)
InChIKeyKKSZRIYRHBFJRJ-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9303138
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
2-(N-acetyl-4-methylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 113167737
2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 113160075
4-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144341
N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide
CID 60672273
4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 9151806
2-[2-(2,4-dichlorophenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide
CID 109264539
2-[[2-oxo-2-(2,4,6-trichloroanilino)ethyl]-propylamino]-N-propylacetamide
CID 87018436
N-[2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]ethyl]propanamide
CID 113057117
2-[2-(2,4-dichlorophenyl)ethylamino]-N-ethylacetamide
CID 28578887
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride
CID 119263881

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(dipropylamino)acetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(dipropylamino)acetamide (CID 109006595) is N-[2-(2,4-dichlorophenyl)ethyl]-2-(dipropylamino)acetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-(dipropylamino)acetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-(dipropylamino)acetamide is CCCN(CCC)CC(=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-(dipropylamino)acetamide?
The InChIKey is KKSZRIYRHBFJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2O/c1-3-9-20(10-4-2)12-16(21)19-8-7-13-5-6-14(17)11-15(13)18/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-(dipropylamino)acetamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2-(dipropylamino)acetamide has a molecular weight of 331.29 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-(dipropylamino)acetamide is sourced from PubChem (CID 109006595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).