N-[4-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl]furan-2-carboxamide

C19H23N3O4 — CID 51205488

IUPACN-[4-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C19H23N3O4/c1-4-22(12-17(23)20-13(2)3)19(25)14-7-9-15(10-8-14)21-18(24)16-6-5-11-26-16/h5-11,13H,4,12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyBJKRUIANINGDOM-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.52
Rot. Bonds7

About N-[4-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl]furan-2-carboxamide

N-[4-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 51205488) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[4-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID51205488
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[4-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C19H23N3O4/c1-4-22(12-17(23)20-13(2)3)19(25)14-7-9-15(10-8-14)21-18(24)16-6-5-11-26-16/h5-11,13H,4,12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyBJKRUIANINGDOM-UHFFFAOYSA-N
XLogP2.52
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide
CID 17399777
N-[1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 4884407
N-[4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide
CID 17403869
N-[4-[ethyl(phenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 2979994
4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 8892305
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 17229741
N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 47105894
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1114254
N-[4-[3-(diethylamino)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 17407524
N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 51219141
N-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9379021

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl]furan-2-carboxamide (CID 51205488) is N-[4-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl]furan-2-carboxamide is CCN(CC(=O)NC(C)C)C(=O)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is BJKRUIANINGDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-4-22(12-17(23)20-13(2)3)19(25)14-7-9-15(10-8-14)21-18(24)16-6-5-11-26-16/h5-11,13H,4,12H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 51205488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).