5-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid

C19H18N4O5 — CID 71451934

IUPAC5-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid
SMILESCOc1ccc(NC(=O)NCC(=O)Nc2ccc3[nH]c(C(=O)O)cc3c2)cc1
InChIInChI=1S/C19H18N4O5/c1-28-14-5-2-12(3-6-14)22-19(27)20-10-17(24)21-13-4-7-15-11(8-13)9-16(23-15)18(25)26/h2-9,23H,10H2,1H3,(H,21,24)(H,25,26)(H2,20,22,27)
InChIKeyBEVDCYWWWBUMGK-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.63
Rot. Bonds6

About 5-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid

5-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid (PubChem CID 71451934) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is 5-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid
PubChem CID71451934
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Name5-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid
SMILESCOc1ccc(NC(=O)NCC(=O)Nc2ccc3[nH]c(C(=O)O)cc3c2)cc1
InChIInChI=1S/C19H18N4O5/c1-28-14-5-2-12(3-6-14)22-19(27)20-10-17(24)21-13-4-7-15-11(8-13)9-16(23-15)18(25)26/h2-9,23H,10H2,1H3,(H,21,24)(H,25,26)(H2,20,22,27)
InChIKeyBEVDCYWWWBUMGK-UHFFFAOYSA-N
XLogP2.63
TPSA132.55 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 5-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid with MolForge

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Related Compounds

ethyl 5-[[2-[(4-methylphenyl)carbamoylamino]acetyl]amino]-1H-indole-2-carboxylate
CID 71460930
2-[(3,4-dimethylphenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide
CID 42766024
2-[(3-bromophenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide
CID 1055744
5-[3-(4-methoxyphenyl)prop-2-enoylamino]-1H-indole-2-carboxylic acid
CID 155026003
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide
CID 17463645
ethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate
CID 71513334
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid
CID 59365027
N-[2-(4-methoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 771979
1-(4-chloro-2-methylphenyl)-3-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]urea
CID 4623605
2-(4-methoxyanilino)-N-[2-(4-methoxyanilino)-2-oxoethyl]-2-methylpropanamide
CID 134917893

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid?
The IUPAC name of 5-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid (CID 71451934) is 5-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid is COc1ccc(NC(=O)NCC(=O)Nc2ccc3[nH]c(C(=O)O)cc3c2)cc1.
What is the InChIKey of 5-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid?
The InChIKey is BEVDCYWWWBUMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c1-28-14-5-2-12(3-6-14)22-19(27)20-10-17(24)21-13-4-7-15-11(8-13)9-16(23-15)18(25)26/h2-9,23H,10H2,1H3,(H,21,24)(H,25,26)(H2,20,22,27).
What are the key properties of 5-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid?
5-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid has a molecular weight of 382.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 71451934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).