benzyl 2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetate

C19H20N2O4 — CID 30581431

IUPACbenzyl 2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetate
SMILESCc1c(C(=O)NCC(=O)OCc2ccccc2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C19H20N2O4/c1-12-17-14(8-5-9-15(17)22)21-18(12)19(24)20-10-16(23)25-11-13-6-3-2-4-7-13/h2-4,6-7,21H,5,8-11H2,1H3,(H,20,24)
InChIKeyFYMFWEQFJACHGS-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.32
Rot. Bonds5

About benzyl 2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetate

benzyl 2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetate (PubChem CID 30581431) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is benzyl 2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetate
PubChem CID30581431
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namebenzyl 2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetate
SMILESCc1c(C(=O)NCC(=O)OCc2ccccc2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C19H20N2O4/c1-12-17-14(8-5-9-15(17)22)21-18(12)19(24)20-10-16(23)25-11-13-6-3-2-4-7-13/h2-4,6-7,21H,5,8-11H2,1H3,(H,20,24)
InChIKeyFYMFWEQFJACHGS-UHFFFAOYSA-N
XLogP2.32
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]-3-phenylpropanoic acid
CID 119367299
N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 32736105
N-[(1R)-1,2-diphenylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 32578013
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 47082963
5-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119245911
N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 37345240
N-[3-(N-ethylanilino)propyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 37245091
N-(benzhydrylideneamino)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 24574939
3-methyl-N-[2-(methylamino)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 120827064
N-[4-(furan-2-carbonylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 31011246
benzyl 2-benzamidoacetate;ethane
CID 142836612
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55846959

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetate?
The IUPAC name of benzyl 2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetate (CID 30581431) is benzyl 2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetate?
The canonical SMILES for benzyl 2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetate is Cc1c(C(=O)NCC(=O)OCc2ccccc2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of benzyl 2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetate?
The InChIKey is FYMFWEQFJACHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-17-14(8-5-9-15(17)22)21-18(12)19(24)20-10-16(23)25-11-13-6-3-2-4-7-13/h2-4,6-7,21H,5,8-11H2,1H3,(H,20,24).
What are the key properties of benzyl 2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetate?
benzyl 2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetate has a molecular weight of 340.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetate is sourced from PubChem (CID 30581431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).