N-(furan-2-ylmethyl)-2-(3-phenylpropanoylamino)benzamide

C21H20N2O3 — CID 900537

IUPACN-(furan-2-ylmethyl)-2-(3-phenylpropanoylamino)benzamide
SMILESO=C(CCc1ccccc1)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C21H20N2O3/c24-20(13-12-16-7-2-1-3-8-16)23-19-11-5-4-10-18(19)21(25)22-15-17-9-6-14-26-17/h1-11,14H,12-13,15H2,(H,22,25)(H,23,24)
InChIKeyDDWAMQPPMXRKIW-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.78
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-(3-phenylpropanoylamino)benzamide

N-(furan-2-ylmethyl)-2-(3-phenylpropanoylamino)benzamide (PubChem CID 900537) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3-phenylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3-phenylpropanoylamino)benzamide
PubChem CID900537
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-(furan-2-ylmethyl)-2-(3-phenylpropanoylamino)benzamide
SMILESO=C(CCc1ccccc1)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C21H20N2O3/c24-20(13-12-16-7-2-1-3-8-16)23-19-11-5-4-10-18(19)21(25)22-15-17-9-6-14-26-17/h1-11,14H,12-13,15H2,(H,22,25)(H,23,24)
InChIKeyDDWAMQPPMXRKIW-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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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3-phenylpropanoylamino)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3-phenylpropanoylamino)benzamide (CID 900537) is N-(furan-2-ylmethyl)-2-(3-phenylpropanoylamino)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3-phenylpropanoylamino)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3-phenylpropanoylamino)benzamide is O=C(CCc1ccccc1)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3-phenylpropanoylamino)benzamide?
The InChIKey is DDWAMQPPMXRKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-20(13-12-16-7-2-1-3-8-16)23-19-11-5-4-10-18(19)21(25)22-15-17-9-6-14-26-17/h1-11,14H,12-13,15H2,(H,22,25)(H,23,24).
What are the key properties of N-(furan-2-ylmethyl)-2-(3-phenylpropanoylamino)benzamide?
N-(furan-2-ylmethyl)-2-(3-phenylpropanoylamino)benzamide 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-(furan-2-ylmethyl)-2-(3-phenylpropanoylamino)benzamide is sourced from PubChem (CID 900537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).