4-butyl-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide

C36H38N2O3 — CID 42701759

IUPAC4-butyl-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
SMILESCCCCc1ccc(C(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(OC)c(OCc3ccccc3)c2)cc1
InChIInChI=1S/C36H38N2O3/c1-3-4-10-27-15-18-30(19-16-27)36(39)38(22-21-31-24-37-33-14-9-8-13-32(31)33)25-29-17-20-34(40-2)35(23-29)41-26-28-11-6-5-7-12-28/h5-9,11-20,23-24,37H,3-4,10,21-22,25-26H2,1-2H3
InChIKeyPQMYMTWUOCLKIX-UHFFFAOYSA-N
MW546.71 g/mol
LogP7.98
Rot. Bonds13

About 4-butyl-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide

4-butyl-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide (PubChem CID 42701759) has the molecular formula C36H38N2O3 and a molecular weight of 546.71 g/mol. Its IUPAC name is 4-butyl-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-butyl-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
PubChem CID42701759
Molecular FormulaC36H38N2O3
Molecular Weight546.71 g/mol
Exact Mass546.29
IUPAC Name4-butyl-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
SMILESCCCCc1ccc(C(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(OC)c(OCc3ccccc3)c2)cc1
InChIInChI=1S/C36H38N2O3/c1-3-4-10-27-15-18-30(19-16-27)36(39)38(22-21-31-24-37-33-14-9-8-13-32(31)33)25-29-17-20-34(40-2)35(23-29)41-26-28-11-6-5-7-12-28/h5-9,11-20,23-24,37H,3-4,10,21-22,25-26H2,1-2H3
InChIKeyPQMYMTWUOCLKIX-UHFFFAOYSA-N
XLogP7.98
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.71
LogP ≤ 57.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]urea
CID 42657203
N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 42777881
4-tert-butyl-N-[2-[(3,4-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 42772306
1-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42702059
4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 42698598
4-butyl-N-[2-(dibutylamino)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide;N',N'-dibutyl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ethane-1,2-diamine
CID 158123048
N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 3457566
2-[benzylcarbamoyl(2-methoxyethyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 42772400
N,4-dibutyl-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide
CID 5077282
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 42701819
N-[2-[(3,4-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)propanamide
CID 42772287
N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide
CID 42695889

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-butyl-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide (CID 42701759) is 4-butyl-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-butyl-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-butyl-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide is CCCCc1ccc(C(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(OC)c(OCc3ccccc3)c2)cc1.
What is the InChIKey of 4-butyl-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide?
The InChIKey is PQMYMTWUOCLKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N2O3/c1-3-4-10-27-15-18-30(19-16-27)36(39)38(22-21-31-24-37-33-14-9-8-13-32(31)33)25-29-17-20-34(40-2)35(23-29)41-26-28-11-6-5-7-12-28/h5-9,11-20,23-24,37H,3-4,10,21-22,25-26H2,1-2H3.
What are the key properties of 4-butyl-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide?
4-butyl-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide has a molecular weight of 546.71 g/mol, XLogP of 7.98, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 42701759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).