N-[2-(4-methoxyphenyl)ethylcarbamoyl]-4-phenoxybenzamide

C23H22N2O4 — CID 110876921

IUPACN-[2-(4-methoxyphenyl)ethylcarbamoyl]-4-phenoxybenzamide
SMILESCOc1ccc(CCNC(=O)NC(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O4/c1-28-19-11-7-17(8-12-19)15-16-24-23(27)25-22(26)18-9-13-21(14-10-18)29-20-5-3-2-4-6-20/h2-14H,15-16H2,1H3,(H2,24,25,26,27)
InChIKeyJWRMMCKIPMSJOF-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.17
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethylcarbamoyl]-4-phenoxybenzamide

N-[2-(4-methoxyphenyl)ethylcarbamoyl]-4-phenoxybenzamide (PubChem CID 110876921) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethylcarbamoyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethylcarbamoyl]-4-phenoxybenzamide
PubChem CID110876921
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN-[2-(4-methoxyphenyl)ethylcarbamoyl]-4-phenoxybenzamide
SMILESCOc1ccc(CCNC(=O)NC(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O4/c1-28-19-11-7-17(8-12-19)15-16-24-23(27)25-22(26)18-9-13-21(14-10-18)29-20-5-3-2-4-6-20/h2-14H,15-16H2,1H3,(H2,24,25,26,27)
InChIKeyJWRMMCKIPMSJOF-UHFFFAOYSA-N
XLogP4.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethylcarbamoyl]-4-phenoxybenzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethylcarbamoyl]-4-phenoxybenzamide (CID 110876921) is N-[2-(4-methoxyphenyl)ethylcarbamoyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethylcarbamoyl]-4-phenoxybenzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethylcarbamoyl]-4-phenoxybenzamide is COc1ccc(CCNC(=O)NC(=O)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethylcarbamoyl]-4-phenoxybenzamide?
The InChIKey is JWRMMCKIPMSJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-28-19-11-7-17(8-12-19)15-16-24-23(27)25-22(26)18-9-13-21(14-10-18)29-20-5-3-2-4-6-20/h2-14H,15-16H2,1H3,(H2,24,25,26,27).
What are the key properties of N-[2-(4-methoxyphenyl)ethylcarbamoyl]-4-phenoxybenzamide?
N-[2-(4-methoxyphenyl)ethylcarbamoyl]-4-phenoxybenzamide has a molecular weight of 390.44 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethylcarbamoyl]-4-phenoxybenzamide is sourced from PubChem (CID 110876921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).