N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide

C20H19N3O3 — CID 38205482

IUPACN-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide
SMILESO=C(NCCc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H19N3O3/c24-19(18-7-4-14-26-18)22-16-8-10-17(11-9-16)23-20(25)21-13-12-15-5-2-1-3-6-15/h1-11,14H,12-13H2,(H,22,24)(H2,21,23,25)
InChIKeyUQVJMQSESFOZHO-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.90
Rot. Bonds6

About N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide

N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide (PubChem CID 38205482) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide
PubChem CID38205482
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide
SMILESO=C(NCCc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H19N3O3/c24-19(18-7-4-14-26-18)22-16-8-10-17(11-9-16)23-20(25)21-13-12-15-5-2-1-3-6-15/h1-11,14H,12-13H2,(H,22,24)(H2,21,23,25)
InChIKeyUQVJMQSESFOZHO-UHFFFAOYSA-N
XLogP3.90
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]phenyl]furan-2-carboxamide
CID 32521036
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 42017934
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062902
4-(2-phenylethylcarbamoylamino)benzamide
CID 108888099
N-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-carboxamide
CID 110866126
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide
CID 17399777
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide
CID 47031833
N-[3-[[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 111134401

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide (CID 38205482) is N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide is O=C(NCCc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide?
The InChIKey is UQVJMQSESFOZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-19(18-7-4-14-26-18)22-16-8-10-17(11-9-16)23-20(25)21-13-12-15-5-2-1-3-6-15/h1-11,14H,12-13H2,(H,22,24)(H2,21,23,25).
What are the key properties of N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide?
N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 38205482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).