5-bromo-N-[2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide

C15H22BrN3O4 — CID 86850963

IUPAC5-bromo-N-[2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCC(NC(=O)CN(C)C(=O)c1ccc(Br)o1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H22BrN3O4/c1-9(13(21)18-15(2,3)4)17-12(20)8-19(5)14(22)10-6-7-11(16)23-10/h6-7,9H,8H2,1-5H3,(H,17,20)(H,18,21)
InChIKeyBECAYZZOIWAAOV-UHFFFAOYSA-N
MW388.26 g/mol
LogP1.53
Rot. Bonds5

About 5-bromo-N-[2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide

5-bromo-N-[2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 86850963) has the molecular formula C15H22BrN3O4 and a molecular weight of 388.26 g/mol. Its IUPAC name is 5-bromo-N-[2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID86850963
Molecular FormulaC15H22BrN3O4
Molecular Weight388.26 g/mol
Exact Mass387.08
IUPAC Name5-bromo-N-[2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCC(NC(=O)CN(C)C(=O)c1ccc(Br)o1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H22BrN3O4/c1-9(13(21)18-15(2,3)4)17-12(20)8-19(5)14(22)10-6-7-11(16)23-10/h6-7,9H,8H2,1-5H3,(H,17,20)(H,18,21)
InChIKeyBECAYZZOIWAAOV-UHFFFAOYSA-N
XLogP1.53
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide with MolForge

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Related Compounds

5-bromo-N-methyl-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]furan-2-carboxamide
CID 87021208
3-[[2-[(5-bromofuran-2-carbonyl)-methylamino]acetyl]amino]-2-methylpropanoic acid
CID 119236875
(2S)-2-[[2-[(5-bromofuran-2-carbonyl)-methylamino]acetyl]amino]hexanoic acid
CID 120614545
5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
CID 111695876
5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51554035
5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide
CID 18155632
5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51307832
N-[2-[(2-amino-2-phenylethyl)amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide
CID 119527431
2-[[2-(4-aminophenyl)acetyl]amino]-N-tert-butylpropanamide
CID 115597377
3-[[2-[(5-bromofuran-2-carbonyl)-methylamino]acetyl]-methylamino]propanoic acid
CID 119232624
3-[(5-bromofuran-2-carbonyl)-methylamino]propanoic acid
CID 60989511
N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 119564929

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 86850963) is 5-bromo-N-[2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide is CC(NC(=O)CN(C)C(=O)c1ccc(Br)o1)C(=O)NC(C)(C)C.
What is the InChIKey of 5-bromo-N-[2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is BECAYZZOIWAAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O4/c1-9(13(21)18-15(2,3)4)17-12(20)8-19(5)14(22)10-6-7-11(16)23-10/h6-7,9H,8H2,1-5H3,(H,17,20)(H,18,21).
What are the key properties of 5-bromo-N-[2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
5-bromo-N-[2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 388.26 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 86850963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).