4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide

C15H22Cl2N2O2 — CID 120591825

IUPAC4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC(C)(C)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H22Cl2N2O2/c1-15(2,14-11(16)5-4-6-12(14)17)9-19-13(20)7-10(8-18)21-3/h4-6,10H,7-9,18H2,1-3H3,(H,19,20)
InChIKeyDVEFTQFNRZAIDF-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.75
Rot. Bonds7

About 4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide

4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide (PubChem CID 120591825) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide
PubChem CID120591825
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC(C)(C)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H22Cl2N2O2/c1-15(2,14-11(16)5-4-6-12(14)17)9-19-13(20)7-10(8-18)21-3/h4-6,10H,7-9,18H2,1-3H3,(H,19,20)
InChIKeyDVEFTQFNRZAIDF-UHFFFAOYSA-N
XLogP2.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide
CID 119319554
2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119319553
4-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591285
4-amino-N-[2-(2,6-dichlorophenyl)ethyl]-3-methoxybutanamide
CID 120590079
4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591741
4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]pentanamide
CID 120562379
3-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]butanamide
CID 119777725
4-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxybutanamide
CID 120591750
4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide
CID 103154278
4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride
CID 120593905
4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide
CID 120588034
4-amino-N-[2-(3-chlorophenoxy)ethyl]-3-methoxybutanamide
CID 120589375

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide (CID 120591825) is 4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide is COC(CN)CC(=O)NCC(C)(C)c1c(Cl)cccc1Cl.
What is the InChIKey of 4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide?
The InChIKey is DVEFTQFNRZAIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-15(2,14-11(16)5-4-6-12(14)17)9-19-13(20)7-10(8-18)21-3/h4-6,10H,7-9,18H2,1-3H3,(H,19,20).
What are the key properties of 4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide?
4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide has a molecular weight of 333.26 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide is sourced from PubChem (CID 120591825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).