N-[4-methoxy-2-[[2-(3-methoxypiperidin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide

C28H31N3O4 — CID 90462929

IUPACN-[4-methoxy-2-[[2-(3-methoxypiperidin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(NC(=O)CN2CCCC(OC)C2)c1
InChIInChI=1S/C28H31N3O4/c1-34-23-14-15-25(26(17-23)29-27(32)19-31-16-6-9-24(18-31)35-2)30-28(33)22-12-10-21(11-13-22)20-7-4-3-5-8-20/h3-5,7-8,10-15,17,24H,6,9,16,18-19H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyMVFJUSTUXPLDMK-UHFFFAOYSA-N
MW473.57 g/mol
LogP4.66
Rot. Bonds8

About N-[4-methoxy-2-[[2-(3-methoxypiperidin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide

N-[4-methoxy-2-[[2-(3-methoxypiperidin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide (PubChem CID 90462929) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is N-[4-methoxy-2-[[2-(3-methoxypiperidin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-methoxy-2-[[2-(3-methoxypiperidin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide
PubChem CID90462929
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC NameN-[4-methoxy-2-[[2-(3-methoxypiperidin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(NC(=O)CN2CCCC(OC)C2)c1
InChIInChI=1S/C28H31N3O4/c1-34-23-14-15-25(26(17-23)29-27(32)19-31-16-6-9-24(18-31)35-2)30-28(33)22-12-10-21(11-13-22)20-7-4-3-5-8-20/h3-5,7-8,10-15,17,24H,6,9,16,18-19H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyMVFJUSTUXPLDMK-UHFFFAOYSA-N
XLogP4.66
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-methoxy-2-[[2-(3-methoxypiperidin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide with MolForge

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Related Compounds

N-(2-methoxyphenyl)-2-[(3S)-3-methoxypiperidin-1-yl]acetamide
CID 124505947
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide
CID 102956460
ethyl (3R)-1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533050
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
N-(2,5-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919183
2-(3-methoxypiperidin-1-yl)-N-methylacetamide
CID 130708427
methyl 1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 78920387
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 31478295
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 60642548
2-(azocan-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 51170949

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-2-[[2-(3-methoxypiperidin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-methoxy-2-[[2-(3-methoxypiperidin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide (CID 90462929) is N-[4-methoxy-2-[[2-(3-methoxypiperidin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-methoxy-2-[[2-(3-methoxypiperidin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-methoxy-2-[[2-(3-methoxypiperidin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide is COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(NC(=O)CN2CCCC(OC)C2)c1.
What is the InChIKey of N-[4-methoxy-2-[[2-(3-methoxypiperidin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide?
The InChIKey is MVFJUSTUXPLDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-34-23-14-15-25(26(17-23)29-27(32)19-31-16-6-9-24(18-31)35-2)30-28(33)22-12-10-21(11-13-22)20-7-4-3-5-8-20/h3-5,7-8,10-15,17,24H,6,9,16,18-19H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of N-[4-methoxy-2-[[2-(3-methoxypiperidin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide?
N-[4-methoxy-2-[[2-(3-methoxypiperidin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide has a molecular weight of 473.57 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-2-[[2-(3-methoxypiperidin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide is sourced from PubChem (CID 90462929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).