3-amino-N-(3-bromo-5-methoxyphenyl)-4,4-dimethylpentanamide

C14H21BrN2O2 — CID 82868226

IUPAC3-amino-N-(3-bromo-5-methoxyphenyl)-4,4-dimethylpentanamide
SMILESCOc1cc(Br)cc(NC(=O)CC(N)C(C)(C)C)c1
InChIInChI=1S/C14H21BrN2O2/c1-14(2,3)12(16)8-13(18)17-10-5-9(15)6-11(7-10)19-4/h5-7,12H,8,16H2,1-4H3,(H,17,18)
InChIKeyIEFXRNWGIVAABX-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.16
Rot. Bonds4

About 3-amino-N-(3-bromo-5-methoxyphenyl)-4,4-dimethylpentanamide

3-amino-N-(3-bromo-5-methoxyphenyl)-4,4-dimethylpentanamide (PubChem CID 82868226) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 3-amino-N-(3-bromo-5-methoxyphenyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name3-amino-N-(3-bromo-5-methoxyphenyl)-4,4-dimethylpentanamide
PubChem CID82868226
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name3-amino-N-(3-bromo-5-methoxyphenyl)-4,4-dimethylpentanamide
SMILESCOc1cc(Br)cc(NC(=O)CC(N)C(C)(C)C)c1
InChIInChI=1S/C14H21BrN2O2/c1-14(2,3)12(16)8-13(18)17-10-5-9(15)6-11(7-10)19-4/h5-7,12H,8,16H2,1-4H3,(H,17,18)
InChIKeyIEFXRNWGIVAABX-UHFFFAOYSA-N
XLogP3.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

(2S)-2-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbutanamide
CID 82868308
3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide
CID 82867396
3-(3-bromo-5-methoxyanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82859803
N-(3-bromo-5-methoxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 82868476
ethyl N-(3-bromo-5-methoxyphenyl)carbamate
CID 82859669
3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide
CID 106113513
2-(4-aminopyrazol-1-yl)-N-(3-bromo-5-methoxyphenyl)acetamide
CID 82857864
1-(3-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115870397
2-(1-aminocyclohexyl)-N-(3-bromo-5-methoxyphenyl)acetamide
CID 82867398
2-[(3-bromo-5-methoxyphenyl)carbamoylamino]-2-methylpropanoic acid
CID 82858703
N-[(3-bromo-5-methoxyphenyl)carbamoyl]-2-chloroacetamide
CID 82860744
(2S)-2-amino-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119820034

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-bromo-5-methoxyphenyl)-4,4-dimethylpentanamide?
The IUPAC name of 3-amino-N-(3-bromo-5-methoxyphenyl)-4,4-dimethylpentanamide (CID 82868226) is 3-amino-N-(3-bromo-5-methoxyphenyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 3-amino-N-(3-bromo-5-methoxyphenyl)-4,4-dimethylpentanamide?
The canonical SMILES for 3-amino-N-(3-bromo-5-methoxyphenyl)-4,4-dimethylpentanamide is COc1cc(Br)cc(NC(=O)CC(N)C(C)(C)C)c1.
What is the InChIKey of 3-amino-N-(3-bromo-5-methoxyphenyl)-4,4-dimethylpentanamide?
The InChIKey is IEFXRNWGIVAABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-14(2,3)12(16)8-13(18)17-10-5-9(15)6-11(7-10)19-4/h5-7,12H,8,16H2,1-4H3,(H,17,18).
What are the key properties of 3-amino-N-(3-bromo-5-methoxyphenyl)-4,4-dimethylpentanamide?
3-amino-N-(3-bromo-5-methoxyphenyl)-4,4-dimethylpentanamide has a molecular weight of 329.24 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-bromo-5-methoxyphenyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 82868226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).