N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide

C24H24N2O4 — CID 8008838

IUPACN-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H24N2O4/c1-17(21-10-6-7-11-22(21)29-2)26-23(27)16-25-24(28)18-12-14-20(15-13-18)30-19-8-4-3-5-9-19/h3-15,17H,16H2,1-2H3,(H,25,28)(H,26,27)/t17-/m1/s1
InChIKeyASLOPVJPOMKGGY-QGZVFWFLSA-N
MW404.47 g/mol
LogP4.09
Rot. Bonds8

About N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide

N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide (PubChem CID 8008838) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
PubChem CID8008838
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H24N2O4/c1-17(21-10-6-7-11-22(21)29-2)26-23(27)16-25-24(28)18-12-14-20(15-13-18)30-19-8-4-3-5-9-19/h3-15,17H,16H2,1-2H3,(H,25,28)(H,26,27)/t17-/m1/s1
InChIKeyASLOPVJPOMKGGY-QGZVFWFLSA-N
XLogP4.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide?
The IUPAC name of N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide (CID 8008838) is N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide?
The canonical SMILES for N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide is COc1ccccc1[C@@H](C)NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide?
The InChIKey is ASLOPVJPOMKGGY-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-17(21-10-6-7-11-22(21)29-2)26-23(27)16-25-24(28)18-12-14-20(15-13-18)30-19-8-4-3-5-9-19/h3-15,17H,16H2,1-2H3,(H,25,28)(H,26,27)/t17-/m1/s1.
What are the key properties of N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide?
N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide has a molecular weight of 404.47 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide is sourced from PubChem (CID 8008838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).