N-(2-amino-2-oxoethoxy)-5-(diethylaminomethyl)furan-2-carboxamide

C12H19N3O4 — CID 112550624

IUPACN-(2-amino-2-oxoethoxy)-5-(diethylaminomethyl)furan-2-carboxamide
SMILESCCN(CC)Cc1ccc(C(=O)NOCC(N)=O)o1
InChIInChI=1S/C12H19N3O4/c1-3-15(4-2)7-9-5-6-10(19-9)12(17)14-18-8-11(13)16/h5-6H,3-4,7-8H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyIKUQPKWEFYQAJF-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.27
Rot. Bonds8

About N-(2-amino-2-oxoethoxy)-5-(diethylaminomethyl)furan-2-carboxamide

N-(2-amino-2-oxoethoxy)-5-(diethylaminomethyl)furan-2-carboxamide (PubChem CID 112550624) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-5-(diethylaminomethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-5-(diethylaminomethyl)furan-2-carboxamide
PubChem CID112550624
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC NameN-(2-amino-2-oxoethoxy)-5-(diethylaminomethyl)furan-2-carboxamide
SMILESCCN(CC)Cc1ccc(C(=O)NOCC(N)=O)o1
InChIInChI=1S/C12H19N3O4/c1-3-15(4-2)7-9-5-6-10(19-9)12(17)14-18-8-11(13)16/h5-6H,3-4,7-8H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyIKUQPKWEFYQAJF-UHFFFAOYSA-N
XLogP0.27
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide
CID 56807423
2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid
CID 43354372
5-(diethylaminomethyl)-N-(4-hydroxybutyl)furan-2-carboxamide
CID 106843281
5-(diethylaminomethyl)-N'-[3-(4-methoxyphenyl)propanoyl]furan-2-carbohydrazide
CID 47837306
5-(diethylaminomethyl)-N-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 43430673
5-(diethylaminomethyl)-N-[1-(hydroxymethyl)cyclopentyl]furan-2-carboxamide
CID 62517028
2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-hydroxybutanoic acid
CID 43170259
5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide
CID 63578022
N'-(adamantane-1-carbonyl)-5-(diethylaminomethyl)furan-2-carbohydrazide
CID 55523239
methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate
CID 78807669
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide
CID 55214616
5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carbohydrazide
CID 63583745

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-5-(diethylaminomethyl)furan-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-5-(diethylaminomethyl)furan-2-carboxamide (CID 112550624) is N-(2-amino-2-oxoethoxy)-5-(diethylaminomethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-5-(diethylaminomethyl)furan-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-5-(diethylaminomethyl)furan-2-carboxamide is CCN(CC)Cc1ccc(C(=O)NOCC(N)=O)o1.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-5-(diethylaminomethyl)furan-2-carboxamide?
The InChIKey is IKUQPKWEFYQAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-3-15(4-2)7-9-5-6-10(19-9)12(17)14-18-8-11(13)16/h5-6H,3-4,7-8H2,1-2H3,(H2,13,16)(H,14,17).
What are the key properties of N-(2-amino-2-oxoethoxy)-5-(diethylaminomethyl)furan-2-carboxamide?
N-(2-amino-2-oxoethoxy)-5-(diethylaminomethyl)furan-2-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 0.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-5-(diethylaminomethyl)furan-2-carboxamide is sourced from PubChem (CID 112550624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).