N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide

C22H25N3O3 — CID 108948641

IUPACN'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
SMILESCOc1cccc(CCNC(=O)CC(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C22H25N3O3/c1-28-18-6-4-5-16(13-18)9-11-23-21(26)14-22(27)24-12-10-17-15-25-20-8-3-2-7-19(17)20/h2-8,13,15,25H,9-12,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyOYCXFWROMBJKSQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.58
Rot. Bonds9

About N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide

N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide (PubChem CID 108948641) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
PubChem CID108948641
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
SMILESCOc1cccc(CCNC(=O)CC(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C22H25N3O3/c1-28-18-6-4-5-16(13-18)9-11-23-21(26)14-22(27)24-12-10-17-15-25-20-8-3-2-7-19(17)20/h2-8,13,15,25H,9-12,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyOYCXFWROMBJKSQ-UHFFFAOYSA-N
XLogP2.58
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000852
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8789196
3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159
3-[2-(3-methoxyphenyl)ethyl]-1H-indole
CID 22038177
2-(6-chloro-1H-indol-3-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113209744
2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 126477720
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861587
N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108946382
2-(3-methoxyphenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 6733827
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide
CID 108949616

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide?
The IUPAC name of N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide (CID 108948641) is N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide is COc1cccc(CCNC(=O)CC(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide?
The InChIKey is OYCXFWROMBJKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-28-18-6-4-5-16(13-18)9-11-23-21(26)14-22(27)24-12-10-17-15-25-20-8-3-2-7-19(17)20/h2-8,13,15,25H,9-12,14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide?
N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide has a molecular weight of 379.46 g/mol, XLogP of 2.58, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide is sourced from PubChem (CID 108948641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).