2-methyl-N-[2-oxo-2-[4-(prop-2-enylcarbamoylamino)anilino]ethyl]furan-3-carboxamide

C18H20N4O4 — CID 55823124

IUPAC2-methyl-N-[2-oxo-2-[4-(prop-2-enylcarbamoylamino)anilino]ethyl]furan-3-carboxamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)CNC(=O)c2ccoc2C)cc1
InChIInChI=1S/C18H20N4O4/c1-3-9-19-18(25)22-14-6-4-13(5-7-14)21-16(23)11-20-17(24)15-8-10-26-12(15)2/h3-8,10H,1,9,11H2,2H3,(H,20,24)(H,21,23)(H2,19,22,25)
InChIKeyXIZIHTBPDCTLCD-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.26
Rot. Bonds7

About 2-methyl-N-[2-oxo-2-[4-(prop-2-enylcarbamoylamino)anilino]ethyl]furan-3-carboxamide

2-methyl-N-[2-oxo-2-[4-(prop-2-enylcarbamoylamino)anilino]ethyl]furan-3-carboxamide (PubChem CID 55823124) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[4-(prop-2-enylcarbamoylamino)anilino]ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-[4-(prop-2-enylcarbamoylamino)anilino]ethyl]furan-3-carboxamide
PubChem CID55823124
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-methyl-N-[2-oxo-2-[4-(prop-2-enylcarbamoylamino)anilino]ethyl]furan-3-carboxamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)CNC(=O)c2ccoc2C)cc1
InChIInChI=1S/C18H20N4O4/c1-3-9-19-18(25)22-14-6-4-13(5-7-14)21-16(23)11-20-17(24)15-8-10-26-12(15)2/h3-8,10H,1,9,11H2,2H3,(H,20,24)(H,21,23)(H2,19,22,25)
InChIKeyXIZIHTBPDCTLCD-UHFFFAOYSA-N
XLogP2.26
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 34027065
2-methyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide
CID 35352937
1-(4-hydroxyphenyl)-3-prop-2-enylurea
CID 67731511
3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 47146192
2-methyl-N-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]furan-3-carboxamide
CID 86823154
2-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 47146193
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 27859031
4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 119278038
1-(4-aminophenyl)-3-prop-2-enylurea
CID 47002126
N-(4-iodophenyl)-2-methylfuran-3-carboxamide
CID 903791
4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride
CID 119278037
4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide;hydrochloride
CID 120559670

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-[4-(prop-2-enylcarbamoylamino)anilino]ethyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-[4-(prop-2-enylcarbamoylamino)anilino]ethyl]furan-3-carboxamide (CID 55823124) is 2-methyl-N-[2-oxo-2-[4-(prop-2-enylcarbamoylamino)anilino]ethyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-[4-(prop-2-enylcarbamoylamino)anilino]ethyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-[4-(prop-2-enylcarbamoylamino)anilino]ethyl]furan-3-carboxamide is C=CCNC(=O)Nc1ccc(NC(=O)CNC(=O)c2ccoc2C)cc1.
What is the InChIKey of 2-methyl-N-[2-oxo-2-[4-(prop-2-enylcarbamoylamino)anilino]ethyl]furan-3-carboxamide?
The InChIKey is XIZIHTBPDCTLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-3-9-19-18(25)22-14-6-4-13(5-7-14)21-16(23)11-20-17(24)15-8-10-26-12(15)2/h3-8,10H,1,9,11H2,2H3,(H,20,24)(H,21,23)(H2,19,22,25).
What are the key properties of 2-methyl-N-[2-oxo-2-[4-(prop-2-enylcarbamoylamino)anilino]ethyl]furan-3-carboxamide?
2-methyl-N-[2-oxo-2-[4-(prop-2-enylcarbamoylamino)anilino]ethyl]furan-3-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.26, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-[4-(prop-2-enylcarbamoylamino)anilino]ethyl]furan-3-carboxamide is sourced from PubChem (CID 55823124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).