N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide

C16H20N2O3 — CID 120832904

IUPACN-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCNC(C)CNC(=O)c1occc1COc1ccccc1
InChIInChI=1S/C16H20N2O3/c1-12(17-2)10-18-16(19)15-13(8-9-20-15)11-21-14-6-4-3-5-7-14/h3-9,12,17H,10-11H2,1-2H3,(H,18,19)
InChIKeyLPNCYBWOPOGFEQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.20
Rot. Bonds7

About N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide

N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 120832904) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID120832904
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCNC(C)CNC(=O)c1occc1COc1ccccc1
InChIInChI=1S/C16H20N2O3/c1-12(17-2)10-18-16(19)15-13(8-9-20-15)11-21-14-6-4-3-5-7-14/h3-9,12,17H,10-11H2,1-2H3,(H,18,19)
InChIKeyLPNCYBWOPOGFEQ-UHFFFAOYSA-N
XLogP2.20
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid
CID 119220829
N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 78856715
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide
CID 30832733
N-[2-(2,5-dimethylphenyl)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 42931673
3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide
CID 46689866
N-(2-hydroxy-2,3-dimethylpentyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 111446659
N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 47079474
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 29434158
2-[methyl-[3-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid
CID 119359087
N-ethoxy-3-(phenoxymethyl)furan-2-carboxamide
CID 30690709

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide (CID 120832904) is N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide is CNC(C)CNC(=O)c1occc1COc1ccccc1.
What is the InChIKey of N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is LPNCYBWOPOGFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12(17-2)10-18-16(19)15-13(8-9-20-15)11-21-14-6-4-3-5-7-14/h3-9,12,17H,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide?
N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 120832904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).