5-bromo-N-[2-[3-hydroxypropyl(propan-2-yl)amino]-2-oxoethyl]furan-2-carboxamide

C13H19BrN2O4 — CID 61039695

IUPAC5-bromo-N-[2-[3-hydroxypropyl(propan-2-yl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCC(C)N(CCCO)C(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H19BrN2O4/c1-9(2)16(6-3-7-17)12(18)8-15-13(19)10-4-5-11(14)20-10/h4-5,9,17H,3,6-8H2,1-2H3,(H,15,19)
InChIKeySTUWELVCPYUOTO-UHFFFAOYSA-N
MW347.21 g/mol
LogP1.39
Rot. Bonds7

About 5-bromo-N-[2-[3-hydroxypropyl(propan-2-yl)amino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[3-hydroxypropyl(propan-2-yl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 61039695) has the molecular formula C13H19BrN2O4 and a molecular weight of 347.21 g/mol. Its IUPAC name is 5-bromo-N-[2-[3-hydroxypropyl(propan-2-yl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[3-hydroxypropyl(propan-2-yl)amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID61039695
Molecular FormulaC13H19BrN2O4
Molecular Weight347.21 g/mol
Exact Mass346.05
IUPAC Name5-bromo-N-[2-[3-hydroxypropyl(propan-2-yl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCC(C)N(CCCO)C(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H19BrN2O4/c1-9(2)16(6-3-7-17)12(18)8-15-13(19)10-4-5-11(14)20-10/h4-5,9,17H,3,6-8H2,1-2H3,(H,15,19)
InChIKeySTUWELVCPYUOTO-UHFFFAOYSA-N
XLogP1.39
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
CID 64997202
3-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-ethylamino]propanoic acid
CID 61007116
5-bromo-N-[2-[methyl(3-phenylpropyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 55707431
5-bromo-N-(2-chloroethyl)-N-propan-2-ylfuran-2-carboxamide
CID 63393502
5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide
CID 81049675
5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 2292970
5-bromo-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 65309872
5-bromo-N-[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 47263424
5-bromo-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 55580820
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide
CID 114316711
5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide
CID 103750870

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[3-hydroxypropyl(propan-2-yl)amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[3-hydroxypropyl(propan-2-yl)amino]-2-oxoethyl]furan-2-carboxamide (CID 61039695) is 5-bromo-N-[2-[3-hydroxypropyl(propan-2-yl)amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[3-hydroxypropyl(propan-2-yl)amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[3-hydroxypropyl(propan-2-yl)amino]-2-oxoethyl]furan-2-carboxamide is CC(C)N(CCCO)C(=O)CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-[3-hydroxypropyl(propan-2-yl)amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is STUWELVCPYUOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O4/c1-9(2)16(6-3-7-17)12(18)8-15-13(19)10-4-5-11(14)20-10/h4-5,9,17H,3,6-8H2,1-2H3,(H,15,19).
What are the key properties of 5-bromo-N-[2-[3-hydroxypropyl(propan-2-yl)amino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[3-hydroxypropyl(propan-2-yl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 347.21 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[3-hydroxypropyl(propan-2-yl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 61039695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).