2-methoxyethyl N-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]phenyl]carbamate

C20H23BrN2O4 — CID 60586585

IUPAC2-methoxyethyl N-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]phenyl]carbamate
SMILESCOCCOC(=O)Nc1cccc(NC(=O)C(C)(C)c2ccc(Br)cc2)c1
InChIInChI=1S/C20H23BrN2O4/c1-20(2,14-7-9-15(21)10-8-14)18(24)22-16-5-4-6-17(13-16)23-19(25)27-12-11-26-3/h4-10,13H,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyGUSZQDXJTNFVNN-UHFFFAOYSA-N
MW435.32 g/mol
LogP4.56
Rot. Bonds7

About 2-methoxyethyl N-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]phenyl]carbamate

2-methoxyethyl N-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]phenyl]carbamate (PubChem CID 60586585) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is 2-methoxyethyl N-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]phenyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]phenyl]carbamate
PubChem CID60586585
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC Name2-methoxyethyl N-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]phenyl]carbamate
SMILESCOCCOC(=O)Nc1cccc(NC(=O)C(C)(C)c2ccc(Br)cc2)c1
InChIInChI=1S/C20H23BrN2O4/c1-20(2,14-7-9-15(21)10-8-14)18(24)22-16-5-4-6-17(13-16)23-19(25)27-12-11-26-3/h4-10,13H,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyGUSZQDXJTNFVNN-UHFFFAOYSA-N
XLogP4.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxyethyl N-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]phenyl]carbamate 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

2-(4-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylpropanamide
CID 51121142
N-(3-acetamidophenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110438763
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide
CID 3100149
2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate
CID 146357329
ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate
CID 60723628
propyl N-(3-bromophenyl)carbamate
CID 19165876
2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate
CID 47077792
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-2-methylpropanamide
CID 113197444
2-(4-bromophenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide
CID 51983578
2-(4-bromophenyl)-N-[(2R)-1-methoxypropan-2-yl]-2-methylpropanamide
CID 51983579
2-(4-aminophenyl)-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 80555200

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]phenyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]phenyl]carbamate (CID 60586585) is 2-methoxyethyl N-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]phenyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]phenyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]phenyl]carbamate is COCCOC(=O)Nc1cccc(NC(=O)C(C)(C)c2ccc(Br)cc2)c1.
What is the InChIKey of 2-methoxyethyl N-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]phenyl]carbamate?
The InChIKey is GUSZQDXJTNFVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-20(2,14-7-9-15(21)10-8-14)18(24)22-16-5-4-6-17(13-16)23-19(25)27-12-11-26-3/h4-10,13H,11-12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-methoxyethyl N-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]phenyl]carbamate?
2-methoxyethyl N-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]phenyl]carbamate has a molecular weight of 435.32 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]phenyl]carbamate is sourced from PubChem (CID 60586585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).