3-ethoxy-1-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid

C20H26N2O5 — CID 120699636

IUPAC3-ethoxy-1-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCCOC1CC(NC(=O)Cc2c[nH]c3cccc(OC)c23)(C(=O)O)C1(C)C
InChIInChI=1S/C20H26N2O5/c1-5-27-15-10-20(18(24)25,19(15,2)3)22-16(23)9-12-11-21-13-7-6-8-14(26-4)17(12)13/h6-8,11,15,21H,5,9-10H2,1-4H3,(H,22,23)(H,24,25)
InChIKeyRPYKDGCMIJULGK-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.49
Rot. Bonds7

About 3-ethoxy-1-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid

3-ethoxy-1-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid (PubChem CID 120699636) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-ethoxy-1-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-ethoxy-1-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid
PubChem CID120699636
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name3-ethoxy-1-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCCOC1CC(NC(=O)Cc2c[nH]c3cccc(OC)c23)(C(=O)O)C1(C)C
InChIInChI=1S/C20H26N2O5/c1-5-27-15-10-20(18(24)25,19(15,2)3)22-16(23)9-12-11-21-13-7-6-8-14(26-4)17(12)13/h6-8,11,15,21H,5,9-10H2,1-4H3,(H,22,23)(H,24,25)
InChIKeyRPYKDGCMIJULGK-UHFFFAOYSA-N
XLogP2.49
TPSA100.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-ethoxy-1-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid with MolForge

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Related Compounds

1-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699791
3-ethoxy-1-[[2-(4-hydroxyphenyl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699950
3-ethoxy-2,2-dimethyl-1-[3-(5-methyl-1H-indol-3-yl)propanoylamino]cyclobutane-1-carboxylic acid
CID 120699482
3-ethoxy-1-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699573
3-ethoxy-2,2-dimethyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclobutane-1-carboxylic acid
CID 120699633
3-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 120525846
1-[[2-(4-bromo-2-methylphenyl)acetyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699286
N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005848
2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 120523694
1-[4-(2-chlorophenoxy)butanoylamino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699694
cis-methyl (1S,3R)-3-ethoxy-1-[[2-(3-fluorophenyl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylate
CID 99788836
N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005854

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid?
The IUPAC name of 3-ethoxy-1-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid (CID 120699636) is 3-ethoxy-1-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-ethoxy-1-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid?
The canonical SMILES for 3-ethoxy-1-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid is CCOC1CC(NC(=O)Cc2c[nH]c3cccc(OC)c23)(C(=O)O)C1(C)C.
What is the InChIKey of 3-ethoxy-1-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid?
The InChIKey is RPYKDGCMIJULGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-5-27-15-10-20(18(24)25,19(15,2)3)22-16(23)9-12-11-21-13-7-6-8-14(26-4)17(12)13/h6-8,11,15,21H,5,9-10H2,1-4H3,(H,22,23)(H,24,25).
What are the key properties of 3-ethoxy-1-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid?
3-ethoxy-1-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid has a molecular weight of 374.44 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 120699636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).