N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide

C17H21N3O3 — CID 54813683

IUPACN-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide
SMILESCCN(CC)CC(=O)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C17H21N3O3/c1-3-20(4-2)12-16(21)18-13-7-5-8-14(11-13)19-17(22)15-9-6-10-23-15/h5-11H,3-4,12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyGCAPXGCVMZCRLV-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.81
Rot. Bonds7

About N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide

N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide (PubChem CID 54813683) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide
PubChem CID54813683
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide
SMILESCCN(CC)CC(=O)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C17H21N3O3/c1-3-20(4-2)12-16(21)18-13-7-5-8-14(11-13)19-17(22)15-9-6-10-23-15/h5-11H,3-4,12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyGCAPXGCVMZCRLV-UHFFFAOYSA-N
XLogP2.81
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
CID 16779439
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55853540
N-[3-[[2-(heptylamino)acetyl]amino]phenyl]furan-2-carboxamide
CID 54814790
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55535244
N-(3-bromophenyl)-2-(diethylamino)acetamide
CID 975030
N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093492
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
N-[3-[[2-(butylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843687
3-[3-[[2-(diethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54813784
N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]furan-2-carboxamide
CID 46402705
N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843288
N-[3-[3-(2-ethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide
CID 32708292

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide (CID 54813683) is N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide is CCN(CC)CC(=O)Nc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is GCAPXGCVMZCRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-20(4-2)12-16(21)18-13-7-5-8-14(11-13)19-17(22)15-9-6-10-23-15/h5-11H,3-4,12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 54813683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).