4-amino-3-(3,4-dichlorophenyl)-N,N-diethylbutanamide

C14H20Cl2N2O — CID 82139155

IUPAC4-amino-3-(3,4-dichlorophenyl)-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CC(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-3-18(4-2)14(19)8-11(9-17)10-5-6-12(15)13(16)7-10/h5-7,11H,3-4,8-9,17H2,1-2H3
InChIKeyQPRXLKHPUSZZQE-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.29
Rot. Bonds6

About 4-amino-3-(3,4-dichlorophenyl)-N,N-diethylbutanamide

4-amino-3-(3,4-dichlorophenyl)-N,N-diethylbutanamide (PubChem CID 82139155) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 4-amino-3-(3,4-dichlorophenyl)-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-amino-3-(3,4-dichlorophenyl)-N,N-diethylbutanamide
PubChem CID82139155
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name4-amino-3-(3,4-dichlorophenyl)-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CC(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-3-18(4-2)14(19)8-11(9-17)10-5-6-12(15)13(16)7-10/h5-7,11H,3-4,8-9,17H2,1-2H3
InChIKeyQPRXLKHPUSZZQE-UHFFFAOYSA-N
XLogP3.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-[3-(dimethylamino)phenyl]-N,N-diethylbutanamide
CID 82139162
4-amino-3-(3,4-dichlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one
CID 82138977
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide
CID 66568191
4-[3-amino-2-(3,4-dichlorophenyl)propyl]benzoic acid
CID 82139713
N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-ethylbenzamide
CID 22137550
3-(3,4-dichlorophenyl)-N-methoxy-N-methyl-5-oxopentanamide
CID 57063992
ethyl 3-amino-2-(3,4-dichlorophenyl)-3-oxopropanoate
CID 70584243
4-amino-3-(4-bromo-3-chloroanilino)-N,N-diethylbutanamide
CID 107619662
[4-[benzoyl(ethyl)amino]-3-(3,4-dichlorophenyl)butyl] acetate
CID 22137542
1-(3,4-dichlorophenyl)-N,N-dimethylethane-1,2-diamine
CID 16789744
(4S)-4-(3,4-dichlorophenyl)-4-hydroxybutan-2-one
CID 101046383
ethyl 3-[1-(3,4-dichlorophenyl)ethylamino]propanoate
CID 60647930

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3,4-dichlorophenyl)-N,N-diethylbutanamide?
The IUPAC name of 4-amino-3-(3,4-dichlorophenyl)-N,N-diethylbutanamide (CID 82139155) is 4-amino-3-(3,4-dichlorophenyl)-N,N-diethylbutanamide.
What is the SMILES notation for 4-amino-3-(3,4-dichlorophenyl)-N,N-diethylbutanamide?
The canonical SMILES for 4-amino-3-(3,4-dichlorophenyl)-N,N-diethylbutanamide is CCN(CC)C(=O)CC(CN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-amino-3-(3,4-dichlorophenyl)-N,N-diethylbutanamide?
The InChIKey is QPRXLKHPUSZZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-3-18(4-2)14(19)8-11(9-17)10-5-6-12(15)13(16)7-10/h5-7,11H,3-4,8-9,17H2,1-2H3.
What are the key properties of 4-amino-3-(3,4-dichlorophenyl)-N,N-diethylbutanamide?
4-amino-3-(3,4-dichlorophenyl)-N,N-diethylbutanamide has a molecular weight of 303.23 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3,4-dichlorophenyl)-N,N-diethylbutanamide is sourced from PubChem (CID 82139155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).