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

C17H26Cl2N2O2 — CID 120591750

IUPAC4-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxybutanamide
SMILESCCC(CC)(CNC(=O)CC(CN)OC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H26Cl2N2O2/c1-4-17(5-2,12-6-7-14(18)15(19)8-12)11-21-16(22)9-13(10-20)23-3/h6-8,13H,4-5,9-11,20H2,1-3H3,(H,21,22)
InChIKeyYAOQHMVYYZYFTR-UHFFFAOYSA-N
MW361.31 g/mol
LogP3.53
Rot. Bonds9

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

4-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxybutanamide (PubChem CID 120591750) has the molecular formula C17H26Cl2N2O2 and a molecular weight of 361.31 g/mol. Its IUPAC name is 4-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxybutanamide
PubChem CID120591750
Molecular FormulaC17H26Cl2N2O2
Molecular Weight361.31 g/mol
Exact Mass360.14
IUPAC Name4-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxybutanamide
SMILESCCC(CC)(CNC(=O)CC(CN)OC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H26Cl2N2O2/c1-4-17(5-2,12-6-7-14(18)15(19)8-12)11-21-16(22)9-13(10-20)23-3/h6-8,13H,4-5,9-11,20H2,1-3H3,(H,21,22)
InChIKeyYAOQHMVYYZYFTR-UHFFFAOYSA-N
XLogP3.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxypropanamide;hydrochloride
CID 120989046
(2S)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide
CID 119318819
(2R)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide;hydrochloride
CID 119318826
4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591825
4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591741
4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide
CID 120588034
N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]piperidine-4-carboxamide;hydrochloride
CID 119318824
4-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591285
N-tert-butyl-2-(3,4-dichlorophenyl)-2-ethylbutan-1-amine
CID 63510234
4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide
CID 120590079
4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride
CID 120593905
4-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-methoxybutanamide
CID 120588649

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxybutanamide (CID 120591750) is 4-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxybutanamide is CCC(CC)(CNC(=O)CC(CN)OC)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxybutanamide?
The InChIKey is YAOQHMVYYZYFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2O2/c1-4-17(5-2,12-6-7-14(18)15(19)8-12)11-21-16(22)9-13(10-20)23-3/h6-8,13H,4-5,9-11,20H2,1-3H3,(H,21,22).
What are the key properties of 4-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxybutanamide?
4-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxybutanamide has a molecular weight of 361.31 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxybutanamide is sourced from PubChem (CID 120591750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).