N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide

C11H19N3O2 — CID 61208466

IUPACN-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
SMILESCc1ccc(CN(C)CC(=O)NCCN)o1
InChIInChI=1S/C11H19N3O2/c1-9-3-4-10(16-9)7-14(2)8-11(15)13-6-5-12/h3-4H,5-8,12H2,1-2H3,(H,13,15)
InChIKeyCQJYYVBLNJLHJS-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.09
Rot. Bonds6

About N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide

N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide (PubChem CID 61208466) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
PubChem CID61208466
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
SMILESCc1ccc(CN(C)CC(=O)NCCN)o1
InChIInChI=1S/C11H19N3O2/c1-9-3-4-10(16-9)7-14(2)8-11(15)13-6-5-12/h3-4H,5-8,12H2,1-2H3,(H,13,15)
InChIKeyCQJYYVBLNJLHJS-UHFFFAOYSA-N
XLogP0.09
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]oxamide
CID 43525988
N-(2,6-dimethylphenyl)-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]amino]acetamide
CID 9102594
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 8810396
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9102879
N-[2-(5-methylfuran-2-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 90651083
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
N-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102980
N-(3-bromo-4-methylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102591
3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one
CID 79396289
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9103147
2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 63583278
1-methoxy-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-one
CID 107507272

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide (CID 61208466) is N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide is Cc1ccc(CN(C)CC(=O)NCCN)o1.
What is the InChIKey of N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide?
The InChIKey is CQJYYVBLNJLHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9-3-4-10(16-9)7-14(2)8-11(15)13-6-5-12/h3-4H,5-8,12H2,1-2H3,(H,13,15).
What are the key properties of N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide?
N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide has a molecular weight of 225.29 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 61208466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).