N-[3-(3-amino-1-hydroxy-3-oxopropyl)phenyl]furan-3-carboxamide

C14H14N2O4 — CID 68644640

IUPACN-[3-(3-amino-1-hydroxy-3-oxopropyl)phenyl]furan-3-carboxamide
SMILESNC(=O)CC(O)c1cccc(NC(=O)c2ccoc2)c1
InChIInChI=1S/C14H14N2O4/c15-13(18)7-12(17)9-2-1-3-11(6-9)16-14(19)10-4-5-20-8-10/h1-6,8,12,17H,7H2,(H2,15,18)(H,16,19)
InChIKeyWICFHFTVMMLEDL-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.44
Rot. Bonds5

About N-[3-(3-amino-1-hydroxy-3-oxopropyl)phenyl]furan-3-carboxamide

N-[3-(3-amino-1-hydroxy-3-oxopropyl)phenyl]furan-3-carboxamide (PubChem CID 68644640) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-[3-(3-amino-1-hydroxy-3-oxopropyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-amino-1-hydroxy-3-oxopropyl)phenyl]furan-3-carboxamide
PubChem CID68644640
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC NameN-[3-(3-amino-1-hydroxy-3-oxopropyl)phenyl]furan-3-carboxamide
SMILESNC(=O)CC(O)c1cccc(NC(=O)c2ccoc2)c1
InChIInChI=1S/C14H14N2O4/c15-13(18)7-12(17)9-2-1-3-11(6-9)16-14(19)10-4-5-20-8-10/h1-6,8,12,17H,7H2,(H2,15,18)(H,16,19)
InChIKeyWICFHFTVMMLEDL-UHFFFAOYSA-N
XLogP1.44
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-(ethylamino)ethyl]phenyl]furan-3-carboxamide
CID 43507852
N-(3-aminophenyl)furan-3-carboxamide
CID 16774426
N-(3-methylphenyl)furan-3-carboxamide
CID 27007768
ethyl 3-(furan-3-carbonylamino)benzoate
CID 34142354
N-[3-(diethylamino)phenyl]furan-3-carboxamide
CID 124926206
N-[3-(3-bromopropyl)phenyl]furan-3-carboxamide
CID 113397917
N-[3-[(1-aminocyclohexanecarbonyl)amino]phenyl]furan-3-carboxamide
CID 119310902
cis-(1R,3S)-3-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065453
N-(4-carbamothioylphenyl)furan-3-carboxamide
CID 24704520
N-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide
CID 119761839
4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673294
N-carbamoylfuran-3-carboxamide
CID 54444166

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-1-hydroxy-3-oxopropyl)phenyl]furan-3-carboxamide?
The IUPAC name of N-[3-(3-amino-1-hydroxy-3-oxopropyl)phenyl]furan-3-carboxamide (CID 68644640) is N-[3-(3-amino-1-hydroxy-3-oxopropyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-(3-amino-1-hydroxy-3-oxopropyl)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[3-(3-amino-1-hydroxy-3-oxopropyl)phenyl]furan-3-carboxamide is NC(=O)CC(O)c1cccc(NC(=O)c2ccoc2)c1.
What is the InChIKey of N-[3-(3-amino-1-hydroxy-3-oxopropyl)phenyl]furan-3-carboxamide?
The InChIKey is WICFHFTVMMLEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c15-13(18)7-12(17)9-2-1-3-11(6-9)16-14(19)10-4-5-20-8-10/h1-6,8,12,17H,7H2,(H2,15,18)(H,16,19).
What are the key properties of N-[3-(3-amino-1-hydroxy-3-oxopropyl)phenyl]furan-3-carboxamide?
N-[3-(3-amino-1-hydroxy-3-oxopropyl)phenyl]furan-3-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-amino-1-hydroxy-3-oxopropyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 68644640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).