N-[(2-ethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide

C22H26N2O2 — CID 6625848

IUPACN-[(2-ethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide
SMILESCCOc1ccccc1CNC(=O)CCc1cn(CC)c2ccccc12
InChIInChI=1S/C22H26N2O2/c1-3-24-16-18(19-10-6-7-11-20(19)24)13-14-22(25)23-15-17-9-5-8-12-21(17)26-4-2/h5-12,16H,3-4,13-15H2,1-2H3,(H,23,25)
InChIKeyUDAJVSQBNRFWTA-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.31
Rot. Bonds8

About N-[(2-ethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide

N-[(2-ethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide (PubChem CID 6625848) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide
PubChem CID6625848
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[(2-ethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide
SMILESCCOc1ccccc1CNC(=O)CCc1cn(CC)c2ccccc12
InChIInChI=1S/C22H26N2O2/c1-3-24-16-18(19-10-6-7-11-20(19)24)13-14-22(25)23-15-17-9-5-8-12-21(17)26-4-2/h5-12,16H,3-4,13-15H2,1-2H3,(H,23,25)
InChIKeyUDAJVSQBNRFWTA-UHFFFAOYSA-N
XLogP4.31
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Lanepitant
CID 3086681
Jwh 250
CID 44397540
N-[(R)-1-{[Acetyl-(2-methoxy-benzyl)-amino]-methyl}-2-(1H-indol-3-yl)-ethyl]-2-(4-cyclohexyl-piperazin-1-yl)-acetamide
CID 9850771
N-Propionyl-5-methoxytryptamine
CID 395810
GR 46611
CID 6160690
(3-(2-(diethylamino)ethyl)-1H-indol-4-yl) acetate
CID 24801867
5-((4-(2-(1H-Indol-1-yl)ethoxy)phenyl)methyl)-2,4-thiazolidinedione
CID 154005
N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine
CID 73814
N-Acetyl-5-benzyloxytryptamine
CID 563605
2-(1-Benzyl-5-methoxy-2-methyl-1h-indol-3-yl)acetamide
CID 244154
N-Butanoyl-5-methoxytryptamine
CID 6443706
GR 128107
CID 44208891

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide (CID 6625848) is N-[(2-ethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide is CCOc1ccccc1CNC(=O)CCc1cn(CC)c2ccccc12.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide?
The InChIKey is UDAJVSQBNRFWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-24-16-18(19-10-6-7-11-20(19)24)13-14-22(25)23-15-17-9-5-8-12-21(17)26-4-2/h5-12,16H,3-4,13-15H2,1-2H3,(H,23,25).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide?
N-[(2-ethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide has a molecular weight of 350.46 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide is sourced from PubChem (CID 6625848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).