2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide

C27H29N3O3 — CID 164616097

IUPAC2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESCOc1ccc(CCNc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C27H29N3O3/c1-32-25-12-11-19(17-26(25)33-2)13-15-28-24-10-6-4-8-22(24)27(31)29-16-14-20-18-30-23-9-5-3-7-21(20)23/h3-12,17-18,28,30H,13-16H2,1-2H3,(H,29,31)
InChIKeyDTNXHIUCHNRXBY-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.81
Rot. Bonds10

About 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide

2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 164616097) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID164616097
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESCOc1ccc(CCNc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C27H29N3O3/c1-32-25-12-11-19(17-26(25)33-2)13-15-28-24-10-6-4-8-22(24)27(31)29-16-14-20-18-30-23-9-5-3-7-21(20)23/h3-12,17-18,28,30H,13-16H2,1-2H3,(H,29,31)
InChIKeyDTNXHIUCHNRXBY-UHFFFAOYSA-N
XLogP4.81
TPSA75.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
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GR 46611
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Bpr-0L075
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Del-22379
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5-Methoxyindole-3-carbaldehyde
CID 82758
5-(phenylmethoxy)-1H-indole-3-carbaldehyde
CID 81398
A-432411
CID 10125830
2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 164616097) is 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide is COc1ccc(CCNc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is DTNXHIUCHNRXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-32-25-12-11-19(17-26(25)33-2)13-15-28-24-10-6-4-8-22(24)27(31)29-16-14-20-18-30-23-9-5-3-7-21(20)23/h3-12,17-18,28,30H,13-16H2,1-2H3,(H,29,31).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 4.81, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 164616097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).