(2S)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide

C15H22Cl2N2O — CID 119318819

IUPAC(2S)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide
SMILESCCC(CC)(CNC(=O)[C@H](C)N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2O/c1-4-15(5-2,9-19-14(20)10(3)18)11-6-7-12(16)13(17)8-11/h6-8,10H,4-5,9,18H2,1-3H3,(H,19,20)/t10-/m0/s1
InChIKeyGBJWDPZYQFGISU-JTQLQIEISA-N
MW317.26 g/mol
LogP3.51
Rot. Bonds6

About (2S)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide

(2S)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide (PubChem CID 119318819) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide
PubChem CID119318819
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name(2S)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide
SMILESCCC(CC)(CNC(=O)[C@H](C)N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2O/c1-4-15(5-2,9-19-14(20)10(3)18)11-6-7-12(16)13(17)8-11/h6-8,10H,4-5,9,18H2,1-3H3,(H,19,20)/t10-/m0/s1
InChIKeyGBJWDPZYQFGISU-JTQLQIEISA-N
XLogP3.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide;hydrochloride
CID 119318826
2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxypropanamide;hydrochloride
CID 120989046
4-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxybutanamide
CID 120591750
N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]piperidine-4-carboxamide;hydrochloride
CID 119318824
N-tert-butyl-2-(3,4-dichlorophenyl)-2-ethylbutan-1-amine
CID 63510234
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119297367
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
(2S)-2-amino-N-(2,2-diethyl-4-hydroxybutyl)propanamide
CID 119343168
tert-butyl N-[(2R)-1-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-1-oxopropan-2-yl]carbamate
CID 52805538
(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684847
2-(3,4-dichlorophenyl)-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 49320012
3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine
CID 130574670

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide (CID 119318819) is (2S)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide is CCC(CC)(CNC(=O)[C@H](C)N)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2S)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide?
The InChIKey is GBJWDPZYQFGISU-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-4-15(5-2,9-19-14(20)10(3)18)11-6-7-12(16)13(17)8-11/h6-8,10H,4-5,9,18H2,1-3H3,(H,19,20)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide?
(2S)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide has a molecular weight of 317.26 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide is sourced from PubChem (CID 119318819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).