5-(aminomethyl)-N-(2,3-dimethoxypropyl)furan-2-carboxamide

C11H18N2O4 — CID 114100067

IUPAC5-(aminomethyl)-N-(2,3-dimethoxypropyl)furan-2-carboxamide
SMILESCOCC(CNC(=O)c1ccc(CN)o1)OC
InChIInChI=1S/C11H18N2O4/c1-15-7-9(16-2)6-13-11(14)10-4-3-8(5-12)17-10/h3-4,9H,5-7,12H2,1-2H3,(H,13,14)
InChIKeyHGLLOKSLDYUAEP-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.13
Rot. Bonds7

About 5-(aminomethyl)-N-(2,3-dimethoxypropyl)furan-2-carboxamide

5-(aminomethyl)-N-(2,3-dimethoxypropyl)furan-2-carboxamide (PubChem CID 114100067) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,3-dimethoxypropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,3-dimethoxypropyl)furan-2-carboxamide
PubChem CID114100067
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name5-(aminomethyl)-N-(2,3-dimethoxypropyl)furan-2-carboxamide
SMILESCOCC(CNC(=O)c1ccc(CN)o1)OC
InChIInChI=1S/C11H18N2O4/c1-15-7-9(16-2)6-13-11(14)10-4-3-8(5-12)17-10/h3-4,9H,5-7,12H2,1-2H3,(H,13,14)
InChIKeyHGLLOKSLDYUAEP-UHFFFAOYSA-N
XLogP0.13
TPSA86.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-carboxamide
CID 106160982
2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107475583
5-(aminomethyl)-N-(3-propoxypropyl)furan-2-carboxamide
CID 82942250
5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide
CID 115739064
5-(aminomethyl)-N-octylfuran-2-carboxamide
CID 115567865
N-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide
CID 106166165
5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
CID 106689982
5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide
CID 47431973
methyl 2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]propanoate
CID 103958190
N-[(2R)-2-(ethylamino)propyl]-5-(methoxymethyl)furan-2-carboxamide
CID 120650443
5-ethyl-N-(3-hydroxy-2-methylpropyl)furan-2-carboxamide
CID 65034203
5-amino-2-bromo-N-(2,3-dimethoxypropyl)benzamide
CID 114098924

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,3-dimethoxypropyl)furan-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(2,3-dimethoxypropyl)furan-2-carboxamide (CID 114100067) is 5-(aminomethyl)-N-(2,3-dimethoxypropyl)furan-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,3-dimethoxypropyl)furan-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,3-dimethoxypropyl)furan-2-carboxamide is COCC(CNC(=O)c1ccc(CN)o1)OC.
What is the InChIKey of 5-(aminomethyl)-N-(2,3-dimethoxypropyl)furan-2-carboxamide?
The InChIKey is HGLLOKSLDYUAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-15-7-9(16-2)6-13-11(14)10-4-3-8(5-12)17-10/h3-4,9H,5-7,12H2,1-2H3,(H,13,14).
What are the key properties of 5-(aminomethyl)-N-(2,3-dimethoxypropyl)furan-2-carboxamide?
5-(aminomethyl)-N-(2,3-dimethoxypropyl)furan-2-carboxamide has a molecular weight of 242.27 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2,3-dimethoxypropyl)furan-2-carboxamide is sourced from PubChem (CID 114100067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).