[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate

C18H19BrN2O5 — CID 55326477

IUPAC[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
SMILESCN(Cc1ccccc1Br)C(=O)COC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C18H19BrN2O5/c1-21(11-13-5-2-3-6-14(13)19)16(22)12-26-17(23)8-9-20-18(24)15-7-4-10-25-15/h2-7,10H,8-9,11-12H2,1H3,(H,20,24)
InChIKeyQGVZDAOYTAUFCD-UHFFFAOYSA-N
MW423.26 g/mol
LogP2.36
Rot. Bonds8

About [2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate

[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate (PubChem CID 55326477) has the molecular formula C18H19BrN2O5 and a molecular weight of 423.26 g/mol. Its IUPAC name is [2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
PubChem CID55326477
Molecular FormulaC18H19BrN2O5
Molecular Weight423.26 g/mol
Exact Mass422.05
IUPAC Name[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
SMILESCN(Cc1ccccc1Br)C(=O)COC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C18H19BrN2O5/c1-21(11-13-5-2-3-6-14(13)19)16(22)12-26-17(23)8-9-20-18(24)15-7-4-10-25-15/h2-7,10H,8-9,11-12H2,1H3,(H,20,24)
InChIKeyQGVZDAOYTAUFCD-UHFFFAOYSA-N
XLogP2.36
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909197
(2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate
CID 46796022
N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 31215370
N-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide
CID 2525635
[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] benzoate
CID 55319343
3-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methylbutanamide
CID 120500697
[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 55304114
N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 38044186
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 55397534
2-ethoxyethyl 4-(furan-2-carbonylamino)butanoate
CID 86914497
4-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]pentanamide
CID 120562543
methyl 3-[[N-[(2-bromophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]propanoate
CID 111275951

Frequently Asked Questions

What is the IUPAC name of [2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
The IUPAC name of [2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate (CID 55326477) is [2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate is CN(Cc1ccccc1Br)C(=O)COC(=O)CCNC(=O)c1ccco1.
What is the InChIKey of [2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
The InChIKey is QGVZDAOYTAUFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O5/c1-21(11-13-5-2-3-6-14(13)19)16(22)12-26-17(23)8-9-20-18(24)15-7-4-10-25-15/h2-7,10H,8-9,11-12H2,1H3,(H,20,24).
What are the key properties of [2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate has a molecular weight of 423.26 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 55326477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).