N-[2-[(2-amino-2-phenylethyl)amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide

C16H18BrN3O3 — CID 119527431

IUPACN-[2-[(2-amino-2-phenylethyl)amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)NCC(N)c1ccccc1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C16H18BrN3O3/c1-20(16(22)13-7-8-14(17)23-13)10-15(21)19-9-12(18)11-5-3-2-4-6-11/h2-8,12H,9-10,18H2,1H3,(H,19,21)
InChIKeyJJYIYLYJEDBODD-UHFFFAOYSA-N
MW380.24 g/mol
LogP1.93
Rot. Bonds6

About N-[2-[(2-amino-2-phenylethyl)amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide

N-[2-[(2-amino-2-phenylethyl)amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide (PubChem CID 119527431) has the molecular formula C16H18BrN3O3 and a molecular weight of 380.24 g/mol. Its IUPAC name is N-[2-[(2-amino-2-phenylethyl)amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-amino-2-phenylethyl)amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide
PubChem CID119527431
Molecular FormulaC16H18BrN3O3
Molecular Weight380.24 g/mol
Exact Mass379.05
IUPAC NameN-[2-[(2-amino-2-phenylethyl)amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)NCC(N)c1ccccc1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C16H18BrN3O3/c1-20(16(22)13-7-8-14(17)23-13)10-15(21)19-9-12(18)11-5-3-2-4-6-11/h2-8,12H,9-10,18H2,1H3,(H,19,21)
InChIKeyJJYIYLYJEDBODD-UHFFFAOYSA-N
XLogP1.93
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[(5-bromofuran-2-carbonyl)-methylamino]acetyl]amino]-2-methylpropanoic acid
CID 119236875
5-bromo-N-methyl-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]furan-2-carboxamide
CID 87021208
5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51554035
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-bromofuran-2-carboxylate
CID 7716846
5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51307832
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
(2S)-2-[[2-[(5-bromofuran-2-carbonyl)-methylamino]acetyl]amino]hexanoic acid
CID 120614545
(2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide
CID 104898372
3-[[2-[(5-bromofuran-2-carbonyl)-methylamino]acetyl]-methylamino]propanoic acid
CID 119232624
3-[(5-bromofuran-2-carbonyl)-methylamino]propanoic acid
CID 60989511
5-bromo-N-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 8936906
5-bromo-N-[2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 86850963

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-2-phenylethyl)amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide?
The IUPAC name of N-[2-[(2-amino-2-phenylethyl)amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide (CID 119527431) is N-[2-[(2-amino-2-phenylethyl)amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[(2-amino-2-phenylethyl)amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-[(2-amino-2-phenylethyl)amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide is CN(CC(=O)NCC(N)c1ccccc1)C(=O)c1ccc(Br)o1.
What is the InChIKey of N-[2-[(2-amino-2-phenylethyl)amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide?
The InChIKey is JJYIYLYJEDBODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O3/c1-20(16(22)13-7-8-14(17)23-13)10-15(21)19-9-12(18)11-5-3-2-4-6-11/h2-8,12H,9-10,18H2,1H3,(H,19,21).
What are the key properties of N-[2-[(2-amino-2-phenylethyl)amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide?
N-[2-[(2-amino-2-phenylethyl)amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide has a molecular weight of 380.24 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-2-phenylethyl)amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide is sourced from PubChem (CID 119527431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).