2-(2-bromophenyl)-N-(2-propan-2-yloxan-4-yl)acetamide

C16H22BrNO2 — CID 122159167

IUPAC2-(2-bromophenyl)-N-(2-propan-2-yloxan-4-yl)acetamide
SMILESCC(C)C1CC(NC(=O)Cc2ccccc2Br)CCO1
InChIInChI=1S/C16H22BrNO2/c1-11(2)15-10-13(7-8-20-15)18-16(19)9-12-5-3-4-6-14(12)17/h3-6,11,13,15H,7-10H2,1-2H3,(H,18,19)
InChIKeyJUWNHFUXQKUGEX-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.31
Rot. Bonds4

About 2-(2-bromophenyl)-N-(2-propan-2-yloxan-4-yl)acetamide

2-(2-bromophenyl)-N-(2-propan-2-yloxan-4-yl)acetamide (PubChem CID 122159167) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-(2-propan-2-yloxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-(2-propan-2-yloxan-4-yl)acetamide
PubChem CID122159167
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name2-(2-bromophenyl)-N-(2-propan-2-yloxan-4-yl)acetamide
SMILESCC(C)C1CC(NC(=O)Cc2ccccc2Br)CCO1
InChIInChI=1S/C16H22BrNO2/c1-11(2)15-10-13(7-8-20-15)18-16(19)9-12-5-3-4-6-14(12)17/h3-6,11,13,15H,7-10H2,1-2H3,(H,18,19)
InChIKeyJUWNHFUXQKUGEX-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-oxo-4-[(2-propan-2-yloxan-4-yl)amino]butanoic acid
CID 120551271
N-[(4aR,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-3-(2-bromophenyl)propanamide
CID 124874443
N-[(1S)-1-(2-methylphenyl)ethyl]-2-propan-2-yloxan-4-amine
CID 81374208
(2-methylphenyl)-[(2R,4S)-2-propan-2-yloxan-4-yl]methanone
CID 928481
N-[(1R)-2-oxo-1-phenyl-2-[[(2S,4R)-2-propan-2-yloxan-4-yl]amino]ethyl]thiophene-2-carboxamide
CID 97256447
2-(2-hydroxyphenyl)-N-(3-methylcyclopentyl)acetamide
CID 114546911
N-[(1R)-1-(4-bromophenyl)ethyl]-2-propan-2-yloxan-4-amine
CID 81353598
2-(2-methylbenzimidazol-1-yl)-N-(2-pentan-3-yloxan-4-yl)acetamide
CID 122135801
N-(2-bromo-5-chlorophenyl)-2-propan-2-yloxan-4-amine
CID 81271301
N-propan-2-yl-3-[(2-propan-2-yloxan-4-yl)amino]propanamide
CID 112559573
(2R,4S)-4-phenyl-2-propan-2-yloxane
CID 118068345
4-(2-methoxycarbonylanilino)-4-oxo-3-[(2-propan-2-yloxan-4-yl)amino]butanoic acid
CID 3306875

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-(2-propan-2-yloxan-4-yl)acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-(2-propan-2-yloxan-4-yl)acetamide (CID 122159167) is 2-(2-bromophenyl)-N-(2-propan-2-yloxan-4-yl)acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-(2-propan-2-yloxan-4-yl)acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-(2-propan-2-yloxan-4-yl)acetamide is CC(C)C1CC(NC(=O)Cc2ccccc2Br)CCO1.
What is the InChIKey of 2-(2-bromophenyl)-N-(2-propan-2-yloxan-4-yl)acetamide?
The InChIKey is JUWNHFUXQKUGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-11(2)15-10-13(7-8-20-15)18-16(19)9-12-5-3-4-6-14(12)17/h3-6,11,13,15H,7-10H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-bromophenyl)-N-(2-propan-2-yloxan-4-yl)acetamide?
2-(2-bromophenyl)-N-(2-propan-2-yloxan-4-yl)acetamide has a molecular weight of 340.26 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-(2-propan-2-yloxan-4-yl)acetamide is sourced from PubChem (CID 122159167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).