6-amino-N-(4-bromo-3-methoxyphenyl)-4-methylhexanamide

C14H21BrN2O2 — CID 82867797

IUPAC6-amino-N-(4-bromo-3-methoxyphenyl)-4-methylhexanamide
SMILESCOc1cc(NC(=O)CCC(C)CCN)ccc1Br
InChIInChI=1S/C14H21BrN2O2/c1-10(7-8-16)3-6-14(18)17-11-4-5-12(15)13(9-11)19-2/h4-5,9-10H,3,6-8,16H2,1-2H3,(H,17,18)
InChIKeyPXDGOMRBEVNYDD-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.16
Rot. Bonds7

About 6-amino-N-(4-bromo-3-methoxyphenyl)-4-methylhexanamide

6-amino-N-(4-bromo-3-methoxyphenyl)-4-methylhexanamide (PubChem CID 82867797) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 6-amino-N-(4-bromo-3-methoxyphenyl)-4-methylhexanamide.

Molecular Properties

Compound Name6-amino-N-(4-bromo-3-methoxyphenyl)-4-methylhexanamide
PubChem CID82867797
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name6-amino-N-(4-bromo-3-methoxyphenyl)-4-methylhexanamide
SMILESCOc1cc(NC(=O)CCC(C)CCN)ccc1Br
InChIInChI=1S/C14H21BrN2O2/c1-10(7-8-16)3-6-14(18)17-11-4-5-12(15)13(9-11)19-2/h4-5,9-10H,3,6-8,16H2,1-2H3,(H,17,18)
InChIKeyPXDGOMRBEVNYDD-UHFFFAOYSA-N
XLogP3.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.16
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)-4,4-dimethylhexanamide
CID 82867638
N-(4-bromo-3-methoxyphenyl)-3-(tert-butylamino)propanamide
CID 82867959
(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride
CID 119290157
6-amino-N-(2-bromo-5-chlorophenyl)-4-methylhexanamide
CID 81271124
4-amino-5-(4-bromo-3-methoxyanilino)-5-oxopentanoic acid
CID 82867308
N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide
CID 79421127
(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)-3-methylpentanamide
CID 113314970
2-[2-(4-bromo-3-methoxyanilino)-2-oxoethoxy]acetic acid
CID 82857878
5-amino-N-(3-bromo-4-methylphenyl)-4-methylpentanamide
CID 82688133
chloromethyl N-(4-bromo-3-methoxyphenyl)carbamate
CID 164652567
3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119724763

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-bromo-3-methoxyphenyl)-4-methylhexanamide?
The IUPAC name of 6-amino-N-(4-bromo-3-methoxyphenyl)-4-methylhexanamide (CID 82867797) is 6-amino-N-(4-bromo-3-methoxyphenyl)-4-methylhexanamide.
What is the SMILES notation for 6-amino-N-(4-bromo-3-methoxyphenyl)-4-methylhexanamide?
The canonical SMILES for 6-amino-N-(4-bromo-3-methoxyphenyl)-4-methylhexanamide is COc1cc(NC(=O)CCC(C)CCN)ccc1Br.
What is the InChIKey of 6-amino-N-(4-bromo-3-methoxyphenyl)-4-methylhexanamide?
The InChIKey is PXDGOMRBEVNYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-10(7-8-16)3-6-14(18)17-11-4-5-12(15)13(9-11)19-2/h4-5,9-10H,3,6-8,16H2,1-2H3,(H,17,18).
What are the key properties of 6-amino-N-(4-bromo-3-methoxyphenyl)-4-methylhexanamide?
6-amino-N-(4-bromo-3-methoxyphenyl)-4-methylhexanamide has a molecular weight of 329.24 g/mol, XLogP of 3.16, 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-methylhexanamide is sourced from PubChem (CID 82867797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).