3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide

C24H23NO5 — CID 1218490

IUPAC3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
SMILESCOc1ccc(C(=O)[C@H](C)Oc2cccc(NC(=O)c3cccc(OC)c3)c2)cc1
InChIInChI=1S/C24H23NO5/c1-16(23(26)17-10-12-20(28-2)13-11-17)30-22-9-5-7-19(15-22)25-24(27)18-6-4-8-21(14-18)29-3/h4-16H,1-3H3,(H,25,27)/t16-/m0/s1
InChIKeyLTWTXXDNRIFADI-INIZCTEOSA-N
MW405.45 g/mol
LogP4.61
Rot. Bonds8

About 3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide

3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide (PubChem CID 1218490) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is 3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
PubChem CID1218490
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
SMILESCOc1ccc(C(=O)[C@H](C)Oc2cccc(NC(=O)c3cccc(OC)c3)c2)cc1
InChIInChI=1S/C24H23NO5/c1-16(23(26)17-10-12-20(28-2)13-11-17)30-22-9-5-7-19(15-22)25-24(27)18-6-4-8-21(14-18)29-3/h4-16H,1-3H3,(H,25,27)/t16-/m0/s1
InChIKeyLTWTXXDNRIFADI-INIZCTEOSA-N
XLogP4.61
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 977194
N-[3-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
CID 5065918
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-methoxybenzamide
CID 19645150
4-bromo-N-[3-[(2S)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 1218528
N-(3-methoxyphenyl)-4-propan-2-ylbenzamide
CID 897049
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
4-chloro-N-[3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 19645135
N-[3-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]-3-nitrobenzamide
CID 3888570
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide (CID 1218490) is 3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide is COc1ccc(C(=O)[C@H](C)Oc2cccc(NC(=O)c3cccc(OC)c3)c2)cc1.
What is the InChIKey of 3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide?
The InChIKey is LTWTXXDNRIFADI-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23NO5/c1-16(23(26)17-10-12-20(28-2)13-11-17)30-22-9-5-7-19(15-22)25-24(27)18-6-4-8-21(14-18)29-3/h4-16H,1-3H3,(H,25,27)/t16-/m0/s1.
What are the key properties of 3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide?
3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide has a molecular weight of 405.45 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide is sourced from PubChem (CID 1218490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).