N-(3-aminopropyl)-2-(3,4-dichlorophenyl)-2-ethylbutanamide

C15H22Cl2N2O — CID 119406849

IUPACN-(3-aminopropyl)-2-(3,4-dichlorophenyl)-2-ethylbutanamide
SMILESCCC(CC)(C(=O)NCCCN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2O/c1-3-15(4-2,14(20)19-9-5-8-18)11-6-7-12(16)13(17)10-11/h6-7,10H,3-5,8-9,18H2,1-2H3,(H,19,20)
InChIKeyJXFUXMUPQRXMTQ-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.52
Rot. Bonds7

About N-(3-aminopropyl)-2-(3,4-dichlorophenyl)-2-ethylbutanamide

N-(3-aminopropyl)-2-(3,4-dichlorophenyl)-2-ethylbutanamide (PubChem CID 119406849) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(3,4-dichlorophenyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(3,4-dichlorophenyl)-2-ethylbutanamide
PubChem CID119406849
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC NameN-(3-aminopropyl)-2-(3,4-dichlorophenyl)-2-ethylbutanamide
SMILESCCC(CC)(C(=O)NCCCN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2O/c1-3-15(4-2,14(20)19-9-5-8-18)11-6-7-12(16)13(17)10-11/h6-7,10H,3-5,8-9,18H2,1-2H3,(H,19,20)
InChIKeyJXFUXMUPQRXMTQ-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(3,4-dichlorophenyl)-2-ethylbutanoyl]amino]propanoic acid
CID 119351201
2-(3,4-dichlorophenyl)-2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119535702
2-(4-chlorophenyl)-2-ethyl-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119431156
N-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride
CID 119407523
N-(3-aminopropyl)-2-ethyl-2-methylbutanamide
CID 88552246
N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577
N-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119405889
(2S)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide
CID 119318819
2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-3-oxopropyl]-2-methylpropanamide
CID 49379512
(2R)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide;hydrochloride
CID 119318826
N-(3-aminopropyl)-5-bromo-2-chlorobenzamide
CID 43378819
N-(4-aminobutyl)-2,2-dimethylbutanamide
CID 62677618

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(3,4-dichlorophenyl)-2-ethylbutanamide?
The IUPAC name of N-(3-aminopropyl)-2-(3,4-dichlorophenyl)-2-ethylbutanamide (CID 119406849) is N-(3-aminopropyl)-2-(3,4-dichlorophenyl)-2-ethylbutanamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(3,4-dichlorophenyl)-2-ethylbutanamide?
The canonical SMILES for N-(3-aminopropyl)-2-(3,4-dichlorophenyl)-2-ethylbutanamide is CCC(CC)(C(=O)NCCCN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3-aminopropyl)-2-(3,4-dichlorophenyl)-2-ethylbutanamide?
The InChIKey is JXFUXMUPQRXMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-3-15(4-2,14(20)19-9-5-8-18)11-6-7-12(16)13(17)10-11/h6-7,10H,3-5,8-9,18H2,1-2H3,(H,19,20).
What are the key properties of N-(3-aminopropyl)-2-(3,4-dichlorophenyl)-2-ethylbutanamide?
N-(3-aminopropyl)-2-(3,4-dichlorophenyl)-2-ethylbutanamide has a molecular weight of 317.26 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(3,4-dichlorophenyl)-2-ethylbutanamide is sourced from PubChem (CID 119406849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).