N-methyl-N-[2-oxo-2-[[(E)-pent-3-enyl]amino]ethyl]furan-2-carboxamide

C13H18N2O3 — CID 113236489

IUPACN-methyl-N-[2-oxo-2-[[(E)-pent-3-enyl]amino]ethyl]furan-2-carboxamide
SMILESC/C=C/CCNC(=O)CN(C)C(=O)c1ccco1
InChIInChI=1S/C13H18N2O3/c1-3-4-5-8-14-12(16)10-15(2)13(17)11-7-6-9-18-11/h3-4,6-7,9H,5,8,10H2,1-2H3,(H,14,16)/b4-3+
InChIKeyFJJKUUCERRRETC-ONEGZZNKSA-N
MW250.30 g/mol
LogP1.43
Rot. Bonds6

About N-methyl-N-[2-oxo-2-[[(E)-pent-3-enyl]amino]ethyl]furan-2-carboxamide

N-methyl-N-[2-oxo-2-[[(E)-pent-3-enyl]amino]ethyl]furan-2-carboxamide (PubChem CID 113236489) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[[(E)-pent-3-enyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[[(E)-pent-3-enyl]amino]ethyl]furan-2-carboxamide
PubChem CID113236489
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-methyl-N-[2-oxo-2-[[(E)-pent-3-enyl]amino]ethyl]furan-2-carboxamide
SMILESC/C=C/CCNC(=O)CN(C)C(=O)c1ccco1
InChIInChI=1S/C13H18N2O3/c1-3-4-5-8-14-12(16)10-15(2)13(17)11-7-6-9-18-11/h3-4,6-7,9H,5,8,10H2,1-2H3,(H,14,16)/b4-3+
InChIKeyFJJKUUCERRRETC-ONEGZZNKSA-N
XLogP1.43
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-N-[2-oxo-2-[[(E)-pent-3-enyl]amino]ethyl]furan-2-carboxamide with MolForge

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Related Compounds

3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 43170664
N-[2-(ethoxyamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 47149757
methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344
2-[furan-2-carbonyl(methyl)amino]acetate
CID 6943452
N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 26897595
N-methyl-N-(2-methylprop-2-enyl)furan-2-carboxamide
CID 115968439
N-methyl-N-[2-oxo-2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]ethyl]furan-2-carboxamide
CID 51122387
N-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 35555182
N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 93041382
N-methyl-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 43047860
3-[[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]methyl]pentanoic acid
CID 81063172
N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 43062380

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[[(E)-pent-3-enyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[[(E)-pent-3-enyl]amino]ethyl]furan-2-carboxamide (CID 113236489) is N-methyl-N-[2-oxo-2-[[(E)-pent-3-enyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[[(E)-pent-3-enyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[[(E)-pent-3-enyl]amino]ethyl]furan-2-carboxamide is C/C=C/CCNC(=O)CN(C)C(=O)c1ccco1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[[(E)-pent-3-enyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is FJJKUUCERRRETC-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-4-5-8-14-12(16)10-15(2)13(17)11-7-6-9-18-11/h3-4,6-7,9H,5,8,10H2,1-2H3,(H,14,16)/b4-3+.
What are the key properties of N-methyl-N-[2-oxo-2-[[(E)-pent-3-enyl]amino]ethyl]furan-2-carboxamide?
N-methyl-N-[2-oxo-2-[[(E)-pent-3-enyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[[(E)-pent-3-enyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 113236489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).