1-[(3S)-3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-2-[3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-1,2-dimethylhydrazine

C38H42N4O2 — CID 67268953

IUPAC1-[(3S)-3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-2-[3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-1,2-dimethylhydrazine
SMILESCOc1cccc2[nH]cc(C(CCN(C)N(C)CC[C@@H](c3ccccc3)c3c[nH]c4cccc(OC)c34)c3ccccc3)c12
InChIInChI=1S/C38H42N4O2/c1-41(23-21-29(27-13-7-5-8-14-27)31-25-39-33-17-11-19-35(43-3)37(31)33)42(2)24-22-30(28-15-9-6-10-16-28)32-26-40-34-18-12-20-36(44-4)38(32)34/h5-20,25-26,29-30,39-40H,21-24H2,1-4H3/t29-,30?/m0/s1
InChIKeyXMZFHUIQDDDAKC-UFXYQILXSA-N
MW586.78 g/mol
LogP8.19
Rot. Bonds13

About 1-[(3S)-3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-2-[3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-1,2-dimethylhydrazine

1-[(3S)-3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-2-[3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-1,2-dimethylhydrazine (PubChem CID 67268953) has the molecular formula C38H42N4O2 and a molecular weight of 586.78 g/mol. Its IUPAC name is 1-[(3S)-3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-2-[3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-1,2-dimethylhydrazine.

Molecular Properties

Compound Name1-[(3S)-3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-2-[3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-1,2-dimethylhydrazine
PubChem CID67268953
Molecular FormulaC38H42N4O2
Molecular Weight586.78 g/mol
Exact Mass586.33
IUPAC Name1-[(3S)-3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-2-[3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-1,2-dimethylhydrazine
SMILESCOc1cccc2[nH]cc(C(CCN(C)N(C)CC[C@@H](c3ccccc3)c3c[nH]c4cccc(OC)c34)c3ccccc3)c12
InChIInChI=1S/C38H42N4O2/c1-41(23-21-29(27-13-7-5-8-14-27)31-25-39-33-17-11-19-35(43-3)37(31)33)42(2)24-22-30(28-15-9-6-10-16-28)32-26-40-34-18-12-20-36(44-4)38(32)34/h5-20,25-26,29-30,39-40H,21-24H2,1-4H3/t29-,30?/m0/s1
InChIKeyXMZFHUIQDDDAKC-UFXYQILXSA-N
XLogP8.19
TPSA56.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.78
LogP ≤ 58.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(3S)-3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-2-[3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-1,2-dimethylhydrazine with MolForge

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Related Compounds

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1-(4-methoxy-1H-indol-3-yl)ethanol
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3-[4-(cyclopropylmethoxy)-1H-indol-3-yl]-N-methyl-3-phenylpropan-1-amine
CID 58088528
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CID 166106894
N-[(4-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide
CID 102386429
3-(4-chloro-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine
CID 58088517
(3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088531
(3R)-3-(4-methoxy-1H-indol-3-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenylpropanamide
CID 97266539
3-(4-bromo-7-methoxy-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088539
N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 132988764
3-fluoro-4-methoxy-1H-indole
CID 162696038

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-2-[3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-1,2-dimethylhydrazine?
The IUPAC name of 1-[(3S)-3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-2-[3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-1,2-dimethylhydrazine (CID 67268953) is 1-[(3S)-3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-2-[3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-1,2-dimethylhydrazine.
What is the SMILES notation for 1-[(3S)-3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-2-[3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-1,2-dimethylhydrazine?
The canonical SMILES for 1-[(3S)-3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-2-[3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-1,2-dimethylhydrazine is COc1cccc2[nH]cc(C(CCN(C)N(C)CC[C@@H](c3ccccc3)c3c[nH]c4cccc(OC)c34)c3ccccc3)c12.
What is the InChIKey of 1-[(3S)-3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-2-[3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-1,2-dimethylhydrazine?
The InChIKey is XMZFHUIQDDDAKC-UFXYQILXSA-N. The full InChI is InChI=1S/C38H42N4O2/c1-41(23-21-29(27-13-7-5-8-14-27)31-25-39-33-17-11-19-35(43-3)37(31)33)42(2)24-22-30(28-15-9-6-10-16-28)32-26-40-34-18-12-20-36(44-4)38(32)34/h5-20,25-26,29-30,39-40H,21-24H2,1-4H3/t29-,30?/m0/s1.
What are the key properties of 1-[(3S)-3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-2-[3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-1,2-dimethylhydrazine?
1-[(3S)-3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-2-[3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-1,2-dimethylhydrazine has a molecular weight of 586.78 g/mol, XLogP of 8.19, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-2-[3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-1,2-dimethylhydrazine is sourced from PubChem (CID 67268953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).