N-[2-(4-bromophenoxy)ethyl]-2,2-dimethyl-5-oxooxolane-3-carboxamide

C15H18BrNO4 — CID 102552786

IUPACN-[2-(4-bromophenoxy)ethyl]-2,2-dimethyl-5-oxooxolane-3-carboxamide
SMILESCC1(C)OC(=O)CC1C(=O)NCCOc1ccc(Br)cc1
InChIInChI=1S/C15H18BrNO4/c1-15(2)12(9-13(18)21-15)14(19)17-7-8-20-11-5-3-10(16)4-6-11/h3-6,12H,7-9H2,1-2H3,(H,17,19)
InChIKeyNFQLLTYJBXSTNC-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.29
Rot. Bonds5

About N-[2-(4-bromophenoxy)ethyl]-2,2-dimethyl-5-oxooxolane-3-carboxamide

N-[2-(4-bromophenoxy)ethyl]-2,2-dimethyl-5-oxooxolane-3-carboxamide (PubChem CID 102552786) has the molecular formula C15H18BrNO4 and a molecular weight of 356.22 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-2,2-dimethyl-5-oxooxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-2,2-dimethyl-5-oxooxolane-3-carboxamide
PubChem CID102552786
Molecular FormulaC15H18BrNO4
Molecular Weight356.22 g/mol
Exact Mass355.04
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-2,2-dimethyl-5-oxooxolane-3-carboxamide
SMILESCC1(C)OC(=O)CC1C(=O)NCCOc1ccc(Br)cc1
InChIInChI=1S/C15H18BrNO4/c1-15(2)12(9-13(18)21-15)14(19)17-7-8-20-11-5-3-10(16)4-6-11/h3-6,12H,7-9H2,1-2H3,(H,17,19)
InChIKeyNFQLLTYJBXSTNC-UHFFFAOYSA-N
XLogP2.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(4-bromophenoxy)ethyl]-2,2-dimethyl-5-oxooxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2S)-2-[2-(4-bromophenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 167806687
N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide
CID 119757535
1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea
CID 47467269
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
(2R)-N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 7357024
N-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide
CID 113099729
2-methyl-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide
CID 78780831
(2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 27823617
3-[2-(4-bromophenoxy)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea
CID 86861539
2-[2-(4-bromophenoxy)ethylamino]acetic acid
CID 43466024
2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005350

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-2,2-dimethyl-5-oxooxolane-3-carboxamide?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-2,2-dimethyl-5-oxooxolane-3-carboxamide (CID 102552786) is N-[2-(4-bromophenoxy)ethyl]-2,2-dimethyl-5-oxooxolane-3-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-2,2-dimethyl-5-oxooxolane-3-carboxamide?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-2,2-dimethyl-5-oxooxolane-3-carboxamide is CC1(C)OC(=O)CC1C(=O)NCCOc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-2,2-dimethyl-5-oxooxolane-3-carboxamide?
The InChIKey is NFQLLTYJBXSTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO4/c1-15(2)12(9-13(18)21-15)14(19)17-7-8-20-11-5-3-10(16)4-6-11/h3-6,12H,7-9H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-2,2-dimethyl-5-oxooxolane-3-carboxamide?
N-[2-(4-bromophenoxy)ethyl]-2,2-dimethyl-5-oxooxolane-3-carboxamide has a molecular weight of 356.22 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-2,2-dimethyl-5-oxooxolane-3-carboxamide is sourced from PubChem (CID 102552786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).