N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide

C21H20N2O3 — CID 42017934

IUPACN-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
SMILESO=C(CCc1ccccc1)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H20N2O3/c24-20(13-10-16-5-2-1-3-6-16)22-15-17-8-11-18(12-9-17)23-21(25)19-7-4-14-26-19/h1-9,11-12,14H,10,13,15H2,(H,22,24)(H,23,25)
InChIKeyCKBYCNDYEUSCNQ-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.78
Rot. Bonds7

About N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide

N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide (PubChem CID 42017934) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
PubChem CID42017934
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
SMILESO=C(CCc1ccccc1)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H20N2O3/c24-20(13-10-16-5-2-1-3-6-16)22-15-17-8-11-18(12-9-17)23-21(25)19-7-4-14-26-19/h1-9,11-12,14H,10,13,15H2,(H,22,24)(H,23,25)
InChIKeyCKBYCNDYEUSCNQ-UHFFFAOYSA-N
XLogP3.78
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]phenyl]furan-2-carboxamide
CID 24618608
N-[4-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 78833691
N-[4-[[[2-(4-benzylpiperazin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 32731119
N-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 18145259
N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 38205482
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[3-hydroxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide
CID 17359487
N-[4-[[[2-(2-formylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 30332762
N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 17233679
N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24618603
N-[4-[[[2-(2-tert-butylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24620662
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide (CID 42017934) is N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide is O=C(CCc1ccccc1)NCc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide?
The InChIKey is CKBYCNDYEUSCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-20(13-10-16-5-2-1-3-6-16)22-15-17-8-11-18(12-9-17)23-21(25)19-7-4-14-26-19/h1-9,11-12,14H,10,13,15H2,(H,22,24)(H,23,25).
What are the key properties of N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide?
N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 42017934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).