2-amino-N-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)acetamide

C14H19BrN2O3 — CID 120791756

IUPAC2-amino-N-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)acetamide
SMILESCOc1ccc(NC(=O)C(N)C2CCOCC2)cc1Br
InChIInChI=1S/C14H19BrN2O3/c1-19-12-3-2-10(8-11(12)15)17-14(18)13(16)9-4-6-20-7-5-9/h2-3,8-9,13H,4-7,16H2,1H3,(H,17,18)
InChIKeyMWVQPSZCNPURFT-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.15
Rot. Bonds4

About 2-amino-N-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)acetamide

2-amino-N-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)acetamide (PubChem CID 120791756) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)acetamide
PubChem CID120791756
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name2-amino-N-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)acetamide
SMILESCOc1ccc(NC(=O)C(N)C2CCOCC2)cc1Br
InChIInChI=1S/C14H19BrN2O3/c1-19-12-3-2-10(8-11(12)15)17-14(18)13(16)9-4-6-20-7-5-9/h2-3,8-9,13H,4-7,16H2,1H3,(H,17,18)
InChIKeyMWVQPSZCNPURFT-UHFFFAOYSA-N
XLogP2.15
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
CID 120782841
2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782987
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
2-amino-3-(3-bromo-4-methoxyanilino)-3-oxopropanoic acid
CID 115179084
2-amino-N-(3,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120782962
2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120783594
2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784349
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 120792775
2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786697
2-amino-2-(oxan-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 120784140
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)acetamide (CID 120791756) is 2-amino-N-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)acetamide is COc1ccc(NC(=O)C(N)C2CCOCC2)cc1Br.
What is the InChIKey of 2-amino-N-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)acetamide?
The InChIKey is MWVQPSZCNPURFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-19-12-3-2-10(8-11(12)15)17-14(18)13(16)9-4-6-20-7-5-9/h2-3,8-9,13H,4-7,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)acetamide?
2-amino-N-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)acetamide has a molecular weight of 343.22 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120791756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).