benzyl (2R)-2-[(2-amino-3-carbamoylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate

C24H22N4O4 — CID 124563083

IUPACbenzyl (2R)-2-[(2-amino-3-carbamoylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate
SMILESNC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3N2C(=O)OCc2ccccc2)c1N
InChIInChI=1S/C24H22N4O4/c25-21-17(22(26)29)10-6-11-18(21)27-23(30)20-13-16-9-4-5-12-19(16)28(20)24(31)32-14-15-7-2-1-3-8-15/h1-12,20H,13-14,25H2,(H2,26,29)(H,27,30)/t20-/m1/s1
InChIKeyFFMJOOSPYVEZJD-HXUWFJFHSA-N
MW430.46 g/mol
LogP3.07
Rot. Bonds5

About benzyl (2R)-2-[(2-amino-3-carbamoylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate

benzyl (2R)-2-[(2-amino-3-carbamoylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate (PubChem CID 124563083) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is benzyl (2R)-2-[(2-amino-3-carbamoylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-[(2-amino-3-carbamoylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate
PubChem CID124563083
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Namebenzyl (2R)-2-[(2-amino-3-carbamoylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate
SMILESNC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3N2C(=O)OCc2ccccc2)c1N
InChIInChI=1S/C24H22N4O4/c25-21-17(22(26)29)10-6-11-18(21)27-23(30)20-13-16-9-4-5-12-19(16)28(20)24(31)32-14-15-7-2-1-3-8-15/h1-12,20H,13-14,25H2,(H2,26,29)(H,27,30)/t20-/m1/s1
InChIKeyFFMJOOSPYVEZJD-HXUWFJFHSA-N
XLogP3.07
TPSA127.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-[(2-amino-3-carbamoylphenyl)carbamoyl]-2-methylpyrrolidine-1-carboxylate
CID 25194663
benzyl (3R)-3-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 1118332
benzyl 2-[amino(hydroxy)methyl]-2,3-dihydroindole-1-carboxylate
CID 19795229
benzyl 2-[(E)-1-(4-methylphenyl)sulfonylprop-1-en-2-yl]-2,3-dihydroindole-1-carboxylate
CID 102122697
benzyl 2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-4,5-dihydro-1,3-thiazol-2-yl]carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 71088731
6-methyl-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid
CID 165438393
6-fluoro-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid
CID 165438394
benzyl (3R)-3-(phenylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 40548466
(2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide
CID 41429200
1-benzoyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-2-carboxamide
CID 20954681
benzyl 2-[phenyl(1,3-thiazol-2-yl)carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 90714678
benzyl (2S,4S)-2-[(2,3-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 1251151

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[(2-amino-3-carbamoylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate?
The IUPAC name of benzyl (2R)-2-[(2-amino-3-carbamoylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate (CID 124563083) is benzyl (2R)-2-[(2-amino-3-carbamoylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-[(2-amino-3-carbamoylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-[(2-amino-3-carbamoylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate is NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3N2C(=O)OCc2ccccc2)c1N.
What is the InChIKey of benzyl (2R)-2-[(2-amino-3-carbamoylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate?
The InChIKey is FFMJOOSPYVEZJD-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H22N4O4/c25-21-17(22(26)29)10-6-11-18(21)27-23(30)20-13-16-9-4-5-12-19(16)28(20)24(31)32-14-15-7-2-1-3-8-15/h1-12,20H,13-14,25H2,(H2,26,29)(H,27,30)/t20-/m1/s1.
What are the key properties of benzyl (2R)-2-[(2-amino-3-carbamoylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate?
benzyl (2R)-2-[(2-amino-3-carbamoylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate has a molecular weight of 430.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[(2-amino-3-carbamoylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 124563083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).