N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide

C18H22N2O4 — CID 47079474

IUPACN-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCCN(CC)C(=O)CNC(=O)c1occc1COc1ccccc1
InChIInChI=1S/C18H22N2O4/c1-3-20(4-2)16(21)12-19-18(22)17-14(10-11-23-17)13-24-15-8-6-5-7-9-15/h5-11H,3-4,12-13H2,1-2H3,(H,19,22)
InChIKeyCWCCMARPUCVTAW-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.46
Rot. Bonds8

About N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide

N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 47079474) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID47079474
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCCN(CC)C(=O)CNC(=O)c1occc1COc1ccccc1
InChIInChI=1S/C18H22N2O4/c1-3-20(4-2)16(21)12-19-18(22)17-14(10-11-23-17)13-24-15-8-6-5-7-9-15/h5-11H,3-4,12-13H2,1-2H3,(H,19,22)
InChIKeyCWCCMARPUCVTAW-UHFFFAOYSA-N
XLogP2.46
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethoxy-3-(phenoxymethyl)furan-2-carboxamide
CID 30690709
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
N-(cyanomethyl)-N-ethyl-3-(phenoxymethyl)furan-2-carboxamide
CID 86864591
N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904
3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide
CID 46689866
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 29479487
3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid
CID 119220829
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55743245
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46529748
N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 26014402
N-[[3-(methoxymethyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46487559

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide (CID 47079474) is N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide is CCN(CC)C(=O)CNC(=O)c1occc1COc1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is CWCCMARPUCVTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-3-20(4-2)16(21)12-19-18(22)17-14(10-11-23-17)13-24-15-8-6-5-7-9-15/h5-11H,3-4,12-13H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide?
N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 47079474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).