N-ethyl-2-[4-[[2-(4-methoxyphenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetamide

C34H34N2O3 — CID 139336695

IUPACN-ethyl-2-[4-[[2-(4-methoxyphenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetamide
SMILESCCNC(=O)Cc1ccc(Cn2c(-c3ccc(OC)cc3)c(C)c3cc(OCc4ccccc4)ccc32)cc1
InChIInChI=1S/C34H34N2O3/c1-4-35-33(37)20-25-10-12-26(13-11-25)22-36-32-19-18-30(39-23-27-8-6-5-7-9-27)21-31(32)24(2)34(36)28-14-16-29(38-3)17-15-28/h5-19,21H,4,20,22-23H2,1-3H3,(H,35,37)
InChIKeyAWPYOPGFOYHVJY-UHFFFAOYSA-N
MW518.66 g/mol
LogP6.93
Rot. Bonds10

About N-ethyl-2-[4-[[2-(4-methoxyphenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetamide

N-ethyl-2-[4-[[2-(4-methoxyphenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetamide (PubChem CID 139336695) has the molecular formula C34H34N2O3 and a molecular weight of 518.66 g/mol. Its IUPAC name is N-ethyl-2-[4-[[2-(4-methoxyphenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[[2-(4-methoxyphenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetamide
PubChem CID139336695
Molecular FormulaC34H34N2O3
Molecular Weight518.66 g/mol
Exact Mass518.26
IUPAC NameN-ethyl-2-[4-[[2-(4-methoxyphenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetamide
SMILESCCNC(=O)Cc1ccc(Cn2c(-c3ccc(OC)cc3)c(C)c3cc(OCc4ccccc4)ccc32)cc1
InChIInChI=1S/C34H34N2O3/c1-4-35-33(37)20-25-10-12-26(13-11-25)22-36-32-19-18-30(39-23-27-8-6-5-7-9-27)21-31(32)24(2)34(36)28-14-16-29(38-3)17-15-28/h5-19,21H,4,20,22-23H2,1-3H3,(H,35,37)
InChIKeyAWPYOPGFOYHVJY-UHFFFAOYSA-N
XLogP6.93
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole
CID 134335662
2-[4-[[3-chloro-2-(4-methoxyphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]-N-ethylethanamine
CID 139336520
2-[1-benzyl-5-methoxy-2-(4-methoxyphenyl)indol-3-yl]acetic acid
CID 67748943
ethyl 2-[4-[[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]methyl]phenoxy]acetate
CID 54419601
ethyl 2-[2-[2-[2-[4-[[2-(4-fluorophenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]acetate
CID 134327355
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indole;(Z)-but-2-enedioic acid
CID 71502610
1-[[4-(2-bromoethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxy-2-(4-propan-2-yloxyphenyl)indole
CID 15545816
2-[5-methoxy-2-methyl-1-[(4-phenylmethoxyphenyl)methyl]indol-3-yl]acetic acid
CID 21191889
2-(azepan-1-yl)-2-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-1-yl]methyl]phenoxy]acetaldehyde
CID 87135433
1-(azepan-1-yl)-2-[4-[[3,5-dimethyl-2-(4-phenylmethoxyphenyl)indol-1-yl]methyl]phenoxy]ethanone
CID 70808877
2-[1-benzyl-2-(4-fluorophenyl)-5-methoxyindol-3-yl]acetic acid
CID 67649862
3-methyl-1-[[4-[4-(oxiran-2-yl)piperidin-1-yl]phenyl]methyl]-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indole
CID 167478800

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[[2-(4-methoxyphenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-ethyl-2-[4-[[2-(4-methoxyphenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetamide (CID 139336695) is N-ethyl-2-[4-[[2-(4-methoxyphenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[[2-(4-methoxyphenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[[2-(4-methoxyphenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetamide is CCNC(=O)Cc1ccc(Cn2c(-c3ccc(OC)cc3)c(C)c3cc(OCc4ccccc4)ccc32)cc1.
What is the InChIKey of N-ethyl-2-[4-[[2-(4-methoxyphenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetamide?
The InChIKey is AWPYOPGFOYHVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N2O3/c1-4-35-33(37)20-25-10-12-26(13-11-25)22-36-32-19-18-30(39-23-27-8-6-5-7-9-27)21-31(32)24(2)34(36)28-14-16-29(38-3)17-15-28/h5-19,21H,4,20,22-23H2,1-3H3,(H,35,37).
What are the key properties of N-ethyl-2-[4-[[2-(4-methoxyphenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetamide?
N-ethyl-2-[4-[[2-(4-methoxyphenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetamide has a molecular weight of 518.66 g/mol, XLogP of 6.93, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[[2-(4-methoxyphenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 139336695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).