3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid

C19H26N4O5 — CID 122079445

IUPAC3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCCN(CC)C(=O)Cn1ccc2cc(NC(=O)NCC(C)(O)C(=O)O)ccc21
InChIInChI=1S/C19H26N4O5/c1-4-22(5-2)16(24)11-23-9-8-13-10-14(6-7-15(13)23)21-18(27)20-12-19(3,28)17(25)26/h6-10,28H,4-5,11-12H2,1-3H3,(H,25,26)(H2,20,21,27)
InChIKeyOHBOTJZIXYALPC-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.47
Rot. Bonds8

About 3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid

3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 122079445) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID122079445
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Name3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCCN(CC)C(=O)Cn1ccc2cc(NC(=O)NCC(C)(O)C(=O)O)ccc21
InChIInChI=1S/C19H26N4O5/c1-4-22(5-2)16(24)11-23-9-8-13-10-14(6-7-15(13)23)21-18(27)20-12-19(3,28)17(25)26/h6-10,28H,4-5,11-12H2,1-3H3,(H,25,26)(H2,20,21,27)
InChIKeyOHBOTJZIXYALPC-UHFFFAOYSA-N
XLogP1.47
TPSA123.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide
CID 86889809
N,N-diethyl-2-[5-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]indol-1-yl]acetamide
CID 86962624
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide
CID 119764130
2-[5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
CID 86900793
2-[5-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
CID 86889821
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide
CID 47089802
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexane-1-carboxamide
CID 119312265
N,N-dimethyl-2-[5-[(2-methyl-2-morpholin-4-ylpropyl)carbamoylamino]indol-1-yl]acetamide
CID 56566635
4,5-dichloro-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-1H-pyrrole-2-carboxamide
CID 86874780
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-5-fluoro-2-methylbenzamide
CID 86874773
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(2-methoxyphenyl)butanamide
CID 86887844
2-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
CID 86889777

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid (CID 122079445) is 3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid is CCN(CC)C(=O)Cn1ccc2cc(NC(=O)NCC(C)(O)C(=O)O)ccc21.
What is the InChIKey of 3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is OHBOTJZIXYALPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5/c1-4-22(5-2)16(24)11-23-9-8-13-10-14(6-7-15(13)23)21-18(27)20-12-19(3,28)17(25)26/h6-10,28H,4-5,11-12H2,1-3H3,(H,25,26)(H2,20,21,27).
What are the key properties of 3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 390.44 g/mol, XLogP of 1.47, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 122079445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).