5-bromo-N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide

C13H20BrN3O4 — CID 103841106

IUPAC5-bromo-N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCN(C)CC(C)(O)CNC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H20BrN3O4/c1-13(20,8-17(2)3)7-16-11(18)6-15-12(19)9-4-5-10(14)21-9/h4-5,20H,6-8H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyACMAFOKZLAKICG-UHFFFAOYSA-N
MW362.22 g/mol
LogP0.20
Rot. Bonds7

About 5-bromo-N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 103841106) has the molecular formula C13H20BrN3O4 and a molecular weight of 362.22 g/mol. Its IUPAC name is 5-bromo-N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID103841106
Molecular FormulaC13H20BrN3O4
Molecular Weight362.22 g/mol
Exact Mass361.06
IUPAC Name5-bromo-N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCN(C)CC(C)(O)CNC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H20BrN3O4/c1-13(20,8-17(2)3)7-16-11(18)6-15-12(19)9-4-5-10(14)21-9/h4-5,20H,6-8H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyACMAFOKZLAKICG-UHFFFAOYSA-N
XLogP0.20
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 111483687
3-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427115
N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]benzamide
CID 103839771
2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
CID 106139459
2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methylpropanoic acid
CID 61263565
5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide
CID 114618727
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-pyridin-4-ylacetamide
CID 103960990
5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 7978577
3-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-methylbutanoic acid
CID 64672081
5-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-2-carboxamide
CID 115665099
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 113322189

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 103841106) is 5-bromo-N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide is CN(C)CC(C)(O)CNC(=O)CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is ACMAFOKZLAKICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O4/c1-13(20,8-17(2)3)7-16-11(18)6-15-12(19)9-4-5-10(14)21-9/h4-5,20H,6-8H2,1-3H3,(H,15,19)(H,16,18).
What are the key properties of 5-bromo-N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 362.22 g/mol, XLogP of 0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 103841106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).