N-(3-carbamoyl-4-morpholin-4-ylphenyl)furan-2-carboxamide

C16H17N3O4 — CID 886010

IUPACN-(3-carbamoyl-4-morpholin-4-ylphenyl)furan-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCOCC1
InChIInChI=1S/C16H17N3O4/c17-15(20)12-10-11(18-16(21)14-2-1-7-23-14)3-4-13(12)19-5-8-22-9-6-19/h1-4,7,10H,5-6,8-9H2,(H2,17,20)(H,18,21)
InChIKeyQHMSLZSPUMORBQ-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.47
Rot. Bonds4

About N-(3-carbamoyl-4-morpholin-4-ylphenyl)furan-2-carboxamide

N-(3-carbamoyl-4-morpholin-4-ylphenyl)furan-2-carboxamide (PubChem CID 886010) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(3-carbamoyl-4-morpholin-4-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-morpholin-4-ylphenyl)furan-2-carboxamide
PubChem CID886010
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-(3-carbamoyl-4-morpholin-4-ylphenyl)furan-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCOCC1
InChIInChI=1S/C16H17N3O4/c17-15(20)12-10-11(18-16(21)14-2-1-7-23-14)3-4-13(12)19-5-8-22-9-6-19/h1-4,7,10H,5-6,8-9H2,(H2,17,20)(H,18,21)
InChIKeyQHMSLZSPUMORBQ-UHFFFAOYSA-N
XLogP1.47
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[methyl(phenyl)carbamoyl]-4-morpholin-4-ylphenyl]furan-2-carboxamide
CID 6463083
N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide
CID 42678329
N-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide
CID 1320461
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42671906
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42678369
4-(3-carbamoyl-4-morpholin-4-ylanilino)-4-oxobutanoic acid
CID 26833116
N-(5-fluoro-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 113092678
2-(2,6-dimethylmorpholin-4-yl)-5-(furan-2-carbonylamino)benzoic acid
CID 2804715
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]furan-2-carboxamide
CID 42990181
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-morpholin-4-ylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 42751474
N-[4-methoxy-3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 3968400
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 3161475

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-morpholin-4-ylphenyl)furan-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-morpholin-4-ylphenyl)furan-2-carboxamide (CID 886010) is N-(3-carbamoyl-4-morpholin-4-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-morpholin-4-ylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-morpholin-4-ylphenyl)furan-2-carboxamide is NC(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCOCC1.
What is the InChIKey of N-(3-carbamoyl-4-morpholin-4-ylphenyl)furan-2-carboxamide?
The InChIKey is QHMSLZSPUMORBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c17-15(20)12-10-11(18-16(21)14-2-1-7-23-14)3-4-13(12)19-5-8-22-9-6-19/h1-4,7,10H,5-6,8-9H2,(H2,17,20)(H,18,21).
What are the key properties of N-(3-carbamoyl-4-morpholin-4-ylphenyl)furan-2-carboxamide?
N-(3-carbamoyl-4-morpholin-4-ylphenyl)furan-2-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-morpholin-4-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 886010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).