N-[4-[(2-methylpent-2-enoylamino)methyl]phenyl]furan-2-carboxamide

C18H20N2O3 — CID 76867602

IUPACN-[4-[(2-methylpent-2-enoylamino)methyl]phenyl]furan-2-carboxamide
SMILESCCC=C(C)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H20N2O3/c1-3-5-13(2)17(21)19-12-14-7-9-15(10-8-14)20-18(22)16-6-4-11-23-16/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyZHJLORSOMJZVOD-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.50
Rot. Bonds6

About N-[4-[(2-methylpent-2-enoylamino)methyl]phenyl]furan-2-carboxamide

N-[4-[(2-methylpent-2-enoylamino)methyl]phenyl]furan-2-carboxamide (PubChem CID 76867602) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[4-[(2-methylpent-2-enoylamino)methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-methylpent-2-enoylamino)methyl]phenyl]furan-2-carboxamide
PubChem CID76867602
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[4-[(2-methylpent-2-enoylamino)methyl]phenyl]furan-2-carboxamide
SMILESCCC=C(C)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H20N2O3/c1-3-5-13(2)17(21)19-12-14-7-9-15(10-8-14)20-18(22)16-6-4-11-23-16/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyZHJLORSOMJZVOD-UHFFFAOYSA-N
XLogP3.50
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate
CID 60712061
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[[(2-ethoxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42017998
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51327722
N-[4-[[(3-amino-2,2-dimethylpropanoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 119700833
N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55589199
N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 78870406
N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 42017934
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylpent-2-enoylamino)methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(2-methylpent-2-enoylamino)methyl]phenyl]furan-2-carboxamide (CID 76867602) is N-[4-[(2-methylpent-2-enoylamino)methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(2-methylpent-2-enoylamino)methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(2-methylpent-2-enoylamino)methyl]phenyl]furan-2-carboxamide is CCC=C(C)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[(2-methylpent-2-enoylamino)methyl]phenyl]furan-2-carboxamide?
The InChIKey is ZHJLORSOMJZVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-5-13(2)17(21)19-12-14-7-9-15(10-8-14)20-18(22)16-6-4-11-23-16/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-[(2-methylpent-2-enoylamino)methyl]phenyl]furan-2-carboxamide?
N-[4-[(2-methylpent-2-enoylamino)methyl]phenyl]furan-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylpent-2-enoylamino)methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 76867602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).