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

C15H18N2O3 — CID 119503301

IUPACN-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCNCCNC(=O)c1occc1COc1ccccc1
InChIInChI=1S/C15H18N2O3/c1-16-8-9-17-15(18)14-12(7-10-19-14)11-20-13-5-3-2-4-6-13/h2-7,10,16H,8-9,11H2,1H3,(H,17,18)
InChIKeyWKXLMJMAEWZMKQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.81
Rot. Bonds7

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

N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 119503301) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID119503301
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCNCCNC(=O)c1occc1COc1ccccc1
InChIInChI=1S/C15H18N2O3/c1-16-8-9-17-15(18)14-12(7-10-19-14)11-20-13-5-3-2-4-6-13/h2-7,10,16H,8-9,11H2,1H3,(H,17,18)
InChIKeyWKXLMJMAEWZMKQ-UHFFFAOYSA-N
XLogP1.81
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904
3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide
CID 46689866
3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 30138155
N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 47079474
N-ethoxy-3-(phenoxymethyl)furan-2-carboxamide
CID 30690709
3-(phenoxymethyl)-N-(2-pyridin-3-ylethyl)furan-2-carboxamide
CID 30889619
N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 26014402
N-[[3-(methoxymethyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46487559
N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46697697
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 29434158
3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide
CID 30832733

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide (CID 119503301) is N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide is CNCCNC(=O)c1occc1COc1ccccc1.
What is the InChIKey of N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is WKXLMJMAEWZMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-16-8-9-17-15(18)14-12(7-10-19-14)11-20-13-5-3-2-4-6-13/h2-7,10,16H,8-9,11H2,1H3,(H,17,18).
What are the key properties of N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide?
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 119503301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).