3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]-2-methyl-2-phenylpropanoic acid

C22H24N2O4 — CID 120701315

IUPAC3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]-2-methyl-2-phenylpropanoic acid
SMILESCOCCn1cc(C(=O)NCC(C)(C(=O)O)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H24N2O4/c1-22(21(26)27,16-8-4-3-5-9-16)15-23-20(25)18-14-24(12-13-28-2)19-11-7-6-10-17(18)19/h3-11,14H,12-13,15H2,1-2H3,(H,23,25)(H,26,27)
InChIKeyMGTDCDPTGJTWMN-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.06
Rot. Bonds8

About 3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]-2-methyl-2-phenylpropanoic acid

3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]-2-methyl-2-phenylpropanoic acid (PubChem CID 120701315) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]-2-methyl-2-phenylpropanoic acid
PubChem CID120701315
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]-2-methyl-2-phenylpropanoic acid
SMILESCOCCn1cc(C(=O)NCC(C)(C(=O)O)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H24N2O4/c1-22(21(26)27,16-8-4-3-5-9-16)15-23-20(25)18-14-24(12-13-28-2)19-11-7-6-10-17(18)19/h3-11,14H,12-13,15H2,1-2H3,(H,23,25)(H,26,27)
InChIKeyMGTDCDPTGJTWMN-UHFFFAOYSA-N
XLogP3.06
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]butanoic acid
CID 119170603
6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid
CID 119219776
1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]indole-3-carboxamide
CID 47072758
1-(2-methoxyethyl)-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 71704949
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyethyl)indole-3-carboxamide
CID 71703519
2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid
CID 66173597
2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid
CID 120700996
2-[[[1-(2-methoxyethyl)indole-3-carbonyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119242888
1-(2-methoxyethyl)-N-(4-oxo-1H-pyridin-3-yl)indole-3-carboxamide
CID 71883345
1-(2-methoxyethyl)-N-pyridin-3-ylindole-3-carboxamide
CID 71701698
1-(2-methoxyethyl)-N-[1-(4-phenylphenyl)propan-2-yl]indole-3-carboxamide
CID 167919547
3-[[1-(2-methoxyethyl)indole-3-carbonyl]-(2-methylpropyl)amino]propanoic acid
CID 119190099

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]-2-methyl-2-phenylpropanoic acid (CID 120701315) is 3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]-2-methyl-2-phenylpropanoic acid is COCCn1cc(C(=O)NCC(C)(C(=O)O)c2ccccc2)c2ccccc21.
What is the InChIKey of 3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]-2-methyl-2-phenylpropanoic acid?
The InChIKey is MGTDCDPTGJTWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-22(21(26)27,16-8-4-3-5-9-16)15-23-20(25)18-14-24(12-13-28-2)19-11-7-6-10-17(18)19/h3-11,14H,12-13,15H2,1-2H3,(H,23,25)(H,26,27).
What are the key properties of 3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]-2-methyl-2-phenylpropanoic acid?
3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]-2-methyl-2-phenylpropanoic acid has a molecular weight of 380.44 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 120701315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).