N-[(3-methoxyphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]indol-3-yl]butanamide

C28H30N2O2 — CID 164781427

IUPACN-[(3-methoxyphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]indol-3-yl]butanamide
SMILESCOc1cccc(CNC(=O)CCCc2cn(Cc3cccc(C)c3)c3ccccc23)c1
InChIInChI=1S/C28H30N2O2/c1-21-8-5-10-23(16-21)19-30-20-24(26-13-3-4-14-27(26)30)11-7-15-28(31)29-18-22-9-6-12-25(17-22)32-2/h3-6,8-10,12-14,16-17,20H,7,11,15,18-19H2,1-2H3,(H,29,31)
InChIKeyIMQMGIWWCGWLQO-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.65
Rot. Bonds9

About N-[(3-methoxyphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]indol-3-yl]butanamide

N-[(3-methoxyphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]indol-3-yl]butanamide (PubChem CID 164781427) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]indol-3-yl]butanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]indol-3-yl]butanamide
PubChem CID164781427
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]indol-3-yl]butanamide
SMILESCOc1cccc(CNC(=O)CCCc2cn(Cc3cccc(C)c3)c3ccccc23)c1
InChIInChI=1S/C28H30N2O2/c1-21-8-5-10-23(16-21)19-30-20-24(26-13-3-4-14-27(26)30)11-7-15-28(31)29-18-22-9-6-12-25(17-22)32-2/h3-6,8-10,12-14,16-17,20H,7,11,15,18-19H2,1-2H3,(H,29,31)
InChIKeyIMQMGIWWCGWLQO-UHFFFAOYSA-N
XLogP5.65
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 154688026
2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]acetic acid
CID 43825861
3-(1-benzylindol-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 4616420
2-[(3-methoxyphenyl)methyl]-6-[1-[(2-methylphenyl)methyl]indol-3-yl]hex-1-en-3-one
CID 154688165
(2S)-2-amino-3-[1-[(3-methoxyphenyl)methyl]indol-3-yl]propanoic acid
CID 91073519
chloro (2S)-2-amino-3-[1-[(3-methoxyphenyl)methyl]indol-3-yl]propanoate
CID 68812855
4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide
CID 22522977
2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-propylacetamide
CID 41109158
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113121353
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
1-[(3-methylphenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864392
3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide
CID 4616418

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]indol-3-yl]butanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]indol-3-yl]butanamide (CID 164781427) is N-[(3-methoxyphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]indol-3-yl]butanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]indol-3-yl]butanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]indol-3-yl]butanamide is COc1cccc(CNC(=O)CCCc2cn(Cc3cccc(C)c3)c3ccccc23)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]indol-3-yl]butanamide?
The InChIKey is IMQMGIWWCGWLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-21-8-5-10-23(16-21)19-30-20-24(26-13-3-4-14-27(26)30)11-7-15-28(31)29-18-22-9-6-12-25(17-22)32-2/h3-6,8-10,12-14,16-17,20H,7,11,15,18-19H2,1-2H3,(H,29,31).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]indol-3-yl]butanamide?
N-[(3-methoxyphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]indol-3-yl]butanamide has a molecular weight of 426.56 g/mol, XLogP of 5.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]indol-3-yl]butanamide is sourced from PubChem (CID 164781427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).