N-[3-oxo-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]propyl]furan-2-carboxamide

C19H24N4O4 — CID 46456452

IUPACN-[3-oxo-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]propyl]furan-2-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)CCNC(=O)c2ccco2)cc1
InChIInChI=1S/C19H24N4O4/c1-13(2)22-19(26)23-15-7-5-14(6-8-15)12-21-17(24)9-10-20-18(25)16-4-3-11-27-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,20,25)(H,21,24)(H2,22,23,26)
InChIKeyIQESRRPOYILVDM-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.25
Rot. Bonds8

About N-[3-oxo-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]propyl]furan-2-carboxamide

N-[3-oxo-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]propyl]furan-2-carboxamide (PubChem CID 46456452) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[3-oxo-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]propyl]furan-2-carboxamide
PubChem CID46456452
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-[3-oxo-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]propyl]furan-2-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)CCNC(=O)c2ccco2)cc1
InChIInChI=1S/C19H24N4O4/c1-13(2)22-19(26)23-15-7-5-14(6-8-15)12-21-17(24)9-10-20-18(25)16-4-3-11-27-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,20,25)(H,21,24)(H2,22,23,26)
InChIKeyIQESRRPOYILVDM-UHFFFAOYSA-N
XLogP2.25
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 60556284
N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 42017934
N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062902
3-[3-(furan-2-carbonylamino)propanoylamino]butanoic acid
CID 43172663
N-[3-[[4-(diethylsulfamoyl)phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide
CID 26423283
1-[4-[(benzylcarbamothioylamino)methyl]phenyl]-3-propan-2-ylurea
CID 43077296
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 7908958
N-[3-oxo-3-(1H-pyrrol-3-ylmethylamino)propyl]furan-2-carboxamide
CID 106385845
N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide
CID 2440550
N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 111460641
N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide
CID 46693911
N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide
CID 115612648

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]propyl]furan-2-carboxamide?
The IUPAC name of N-[3-oxo-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]propyl]furan-2-carboxamide (CID 46456452) is N-[3-oxo-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]propyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]propyl]furan-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]propyl]furan-2-carboxamide is CC(C)NC(=O)Nc1ccc(CNC(=O)CCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[3-oxo-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]propyl]furan-2-carboxamide?
The InChIKey is IQESRRPOYILVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-13(2)22-19(26)23-15-7-5-14(6-8-15)12-21-17(24)9-10-20-18(25)16-4-3-11-27-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,20,25)(H,21,24)(H2,22,23,26).
What are the key properties of N-[3-oxo-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]propyl]furan-2-carboxamide?
N-[3-oxo-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]propyl]furan-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.25, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]propyl]furan-2-carboxamide is sourced from PubChem (CID 46456452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).