[2-(2-methylanilino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate

C20H20N4O4 — CID 99434673

IUPAC[2-(2-methylanilino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate
SMILESCc1ccccc1NC(=O)COC(=O)CCNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C20H20N4O4/c1-13-6-2-4-8-15(13)22-17(25)12-28-18(26)10-11-21-20(27)19-14-7-3-5-9-16(14)23-24-19/h2-9H,10-12H2,1H3,(H,21,27)(H,22,25)(H,23,24)
InChIKeyUUOAJUNMFVZOGJ-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.17
Rot. Bonds7

About [2-(2-methylanilino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate

[2-(2-methylanilino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate (PubChem CID 99434673) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate
PubChem CID99434673
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate
SMILESCc1ccccc1NC(=O)COC(=O)CCNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C20H20N4O4/c1-13-6-2-4-8-15(13)22-17(25)12-28-18(26)10-11-21-20(27)19-14-7-3-5-9-16(14)23-24-19/h2-9H,10-12H2,1H3,(H,21,27)(H,22,25)(H,23,24)
InChIKeyUUOAJUNMFVZOGJ-UHFFFAOYSA-N
XLogP2.17
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(1H-indazole-3-carbonylamino)butanoate
CID 60637293
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2478469
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 115605737
[2-[2-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)hydrazinyl]-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate
CID 56512494
[2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
CID 38338434
N-[3-(diethylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 61149810
N-methoxy-1H-indazole-3-carboxamide
CID 60722689
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858386
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2379218
N-(4-aminobutyl)-1H-indazole-3-carboxamide
CID 64982743
N-[3-oxo-3-[[3-oxo-3-(pyridin-2-ylamino)propyl]amino]propyl]-1H-indazole-3-carboxamide
CID 99433492

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate (CID 99434673) is [2-(2-methylanilino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate is Cc1ccccc1NC(=O)COC(=O)CCNC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate?
The InChIKey is UUOAJUNMFVZOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-13-6-2-4-8-15(13)22-17(25)12-28-18(26)10-11-21-20(27)19-14-7-3-5-9-16(14)23-24-19/h2-9H,10-12H2,1H3,(H,21,27)(H,22,25)(H,23,24).
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate?
[2-(2-methylanilino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate has a molecular weight of 380.40 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate is sourced from PubChem (CID 99434673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).