N-[2-[2-hydroxyethyl(prop-2-enyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide

C13H18N2O4 — CID 115775719

IUPACN-[2-[2-hydroxyethyl(prop-2-enyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESC=CCN(CCO)C(=O)CN(C)C(=O)c1ccco1
InChIInChI=1S/C13H18N2O4/c1-3-6-15(7-8-16)12(17)10-14(2)13(18)11-5-4-9-19-11/h3-5,9,16H,1,6-8,10H2,2H3
InChIKeyXYLZRJIVPYAPKE-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.36
Rot. Bonds7

About N-[2-[2-hydroxyethyl(prop-2-enyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide

N-[2-[2-hydroxyethyl(prop-2-enyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 115775719) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[2-[2-hydroxyethyl(prop-2-enyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-hydroxyethyl(prop-2-enyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID115775719
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-[2-[2-hydroxyethyl(prop-2-enyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESC=CCN(CCO)C(=O)CN(C)C(=O)c1ccco1
InChIInChI=1S/C13H18N2O4/c1-3-6-15(7-8-16)12(17)10-14(2)13(18)11-5-4-9-19-11/h3-5,9,16H,1,6-8,10H2,2H3
InChIKeyXYLZRJIVPYAPKE-UHFFFAOYSA-N
XLogP0.36
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 15134402
N-methyl-N-(2-methylprop-2-enyl)furan-2-carboxamide
CID 115968439
3-[ethyl-[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 61008405
N-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide
CID 39237533
2-[furan-2-carbonyl(methyl)amino]acetate
CID 6943452
N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55060862
N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 43047921
methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344
3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424113
N-butyl-N-methylfuran-2-carboxamide
CID 60670878
N-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide
CID 76928863
4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113340627

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-hydroxyethyl(prop-2-enyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[2-[2-hydroxyethyl(prop-2-enyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 115775719) is N-[2-[2-hydroxyethyl(prop-2-enyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[2-hydroxyethyl(prop-2-enyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-[2-hydroxyethyl(prop-2-enyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide is C=CCN(CCO)C(=O)CN(C)C(=O)c1ccco1.
What is the InChIKey of N-[2-[2-hydroxyethyl(prop-2-enyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is XYLZRJIVPYAPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-6-15(7-8-16)12(17)10-14(2)13(18)11-5-4-9-19-11/h3-5,9,16H,1,6-8,10H2,2H3.
What are the key properties of N-[2-[2-hydroxyethyl(prop-2-enyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
N-[2-[2-hydroxyethyl(prop-2-enyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-hydroxyethyl(prop-2-enyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 115775719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).