6-amino-N-(4-bromo-3-methoxyphenyl)-4,4-dimethylhexanamide

C15H23BrN2O2 — CID 82867638

IUPAC6-amino-N-(4-bromo-3-methoxyphenyl)-4,4-dimethylhexanamide
SMILESCOc1cc(NC(=O)CCC(C)(C)CCN)ccc1Br
InChIInChI=1S/C15H23BrN2O2/c1-15(2,8-9-17)7-6-14(19)18-11-4-5-12(16)13(10-11)20-3/h4-5,10H,6-9,17H2,1-3H3,(H,18,19)
InChIKeyZBQVPSFAVAZWLA-UHFFFAOYSA-N
MW343.27 g/mol
LogP3.55
Rot. Bonds7

About 6-amino-N-(4-bromo-3-methoxyphenyl)-4,4-dimethylhexanamide

6-amino-N-(4-bromo-3-methoxyphenyl)-4,4-dimethylhexanamide (PubChem CID 82867638) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 6-amino-N-(4-bromo-3-methoxyphenyl)-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-(4-bromo-3-methoxyphenyl)-4,4-dimethylhexanamide
PubChem CID82867638
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name6-amino-N-(4-bromo-3-methoxyphenyl)-4,4-dimethylhexanamide
SMILESCOc1cc(NC(=O)CCC(C)(C)CCN)ccc1Br
InChIInChI=1S/C15H23BrN2O2/c1-15(2,8-9-17)7-6-14(19)18-11-4-5-12(16)13(10-11)20-3/h4-5,10H,6-9,17H2,1-3H3,(H,18,19)
InChIKeyZBQVPSFAVAZWLA-UHFFFAOYSA-N
XLogP3.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
CID 82867477
6-amino-N-(4-bromo-3-methoxyphenyl)-4-methylhexanamide
CID 82867797
N-(4-bromo-3-methoxyphenyl)-3-(tert-butylamino)propanamide
CID 82867959
3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119724763
6-amino-4,4-dimethyl-N-(2,4,6-tribromophenyl)hexanamide
CID 65292805
6-amino-4,4-dimethyl-N-phenylhexanamide
CID 65292724
N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide
CID 79421127
5-[(6-amino-4,4-dimethylhexanoyl)amino]-2-chlorobenzoic acid
CID 65290954
N-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 90177361
2-[2-(4-bromo-3-methoxyanilino)-2-oxoethoxy]acetic acid
CID 82857878
4-(4-bromo-3-methoxyanilino)-2,2-diethyl-4-oxobutanoic acid
CID 79451102
chloromethyl N-(4-bromo-3-methoxyphenyl)carbamate
CID 164652567

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-bromo-3-methoxyphenyl)-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-(4-bromo-3-methoxyphenyl)-4,4-dimethylhexanamide (CID 82867638) is 6-amino-N-(4-bromo-3-methoxyphenyl)-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-(4-bromo-3-methoxyphenyl)-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-(4-bromo-3-methoxyphenyl)-4,4-dimethylhexanamide is COc1cc(NC(=O)CCC(C)(C)CCN)ccc1Br.
What is the InChIKey of 6-amino-N-(4-bromo-3-methoxyphenyl)-4,4-dimethylhexanamide?
The InChIKey is ZBQVPSFAVAZWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-15(2,8-9-17)7-6-14(19)18-11-4-5-12(16)13(10-11)20-3/h4-5,10H,6-9,17H2,1-3H3,(H,18,19).
What are the key properties of 6-amino-N-(4-bromo-3-methoxyphenyl)-4,4-dimethylhexanamide?
6-amino-N-(4-bromo-3-methoxyphenyl)-4,4-dimethylhexanamide has a molecular weight of 343.27 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-bromo-3-methoxyphenyl)-4,4-dimethylhexanamide is sourced from PubChem (CID 82867638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).