3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

C30H34N2O2 — CID 20900099

IUPAC3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCc1ccc(C)c(Cn2cc(CCC(=O)NCc3ccc(OC(C)C)cc3)c3ccccc32)c1
InChIInChI=1S/C30H34N2O2/c1-21(2)34-27-14-11-24(12-15-27)18-31-30(33)16-13-25-19-32(29-8-6-5-7-28(25)29)20-26-17-22(3)9-10-23(26)4/h5-12,14-15,17,19,21H,13,16,18,20H2,1-4H3,(H,31,33)
InChIKeyZZYFHANXVCXLOD-UHFFFAOYSA-N
MW454.61 g/mol
LogP6.34
Rot. Bonds9

About 3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (PubChem CID 20900099) has the molecular formula C30H34N2O2 and a molecular weight of 454.61 g/mol. Its IUPAC name is 3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
PubChem CID20900099
Molecular FormulaC30H34N2O2
Molecular Weight454.61 g/mol
Exact Mass454.26
IUPAC Name3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCc1ccc(C)c(Cn2cc(CCC(=O)NCc3ccc(OC(C)C)cc3)c3ccccc32)c1
InChIInChI=1S/C30H34N2O2/c1-21(2)34-27-14-11-24(12-15-27)18-31-30(33)16-13-25-19-32(29-8-6-5-7-28(25)29)20-26-17-22(3)9-10-23(26)4/h5-12,14-15,17,19,21H,13,16,18,20H2,1-4H3,(H,31,33)
InChIKeyZZYFHANXVCXLOD-UHFFFAOYSA-N
XLogP6.34
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromophenyl)methyl]-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide
CID 20900096
3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 20900094
N-cycloheptyl-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide
CID 20900075
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 20900039
3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide
CID 4616418
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 4247196
N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900041
3-(2-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 86888872
3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 5059595
2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 53283832
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 20900008
3-(1-benzylindol-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 4616420

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of 3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (CID 20900099) is 3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is Cc1ccc(C)c(Cn2cc(CCC(=O)NCc3ccc(OC(C)C)cc3)c3ccccc32)c1.
What is the InChIKey of 3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The InChIKey is ZZYFHANXVCXLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O2/c1-21(2)34-27-14-11-24(12-15-27)18-31-30(33)16-13-25-19-32(29-8-6-5-7-28(25)29)20-26-17-22(3)9-10-23(26)4/h5-12,14-15,17,19,21H,13,16,18,20H2,1-4H3,(H,31,33).
What are the key properties of 3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide has a molecular weight of 454.61 g/mol, XLogP of 6.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 20900099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).