N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide

C20H24N4O6 — CID 143139060

IUPACN-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)NCC(=O)NC(C[C@@H]3CCNC3=O)C(=O)CO)cc12
InChIInChI=1S/C20H24N4O6/c1-30-17-4-2-3-13-12(17)8-15(23-13)20(29)22-9-18(27)24-14(16(26)10-25)7-11-5-6-21-19(11)28/h2-4,8,11,14,23,25H,5-7,9-10H2,1H3,(H,21,28)(H,22,29)(H,24,27)/t11-,14?/m0/s1
InChIKeyCXIAFAGSDCMSCC-ZSOXZCCMSA-N
MW416.43 g/mol
LogP-0.52
Rot. Bonds9

About N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide

N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide (PubChem CID 143139060) has the molecular formula C20H24N4O6 and a molecular weight of 416.43 g/mol. Its IUPAC name is N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
PubChem CID143139060
Molecular FormulaC20H24N4O6
Molecular Weight416.43 g/mol
Exact Mass416.17
IUPAC NameN-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)NCC(=O)NC(C[C@@H]3CCNC3=O)C(=O)CO)cc12
InChIInChI=1S/C20H24N4O6/c1-30-17-4-2-3-13-12(17)8-15(23-13)20(29)22-9-18(27)24-14(16(26)10-25)7-11-5-6-21-19(11)28/h2-4,8,11,14,23,25H,5-7,9-10H2,1H3,(H,21,28)(H,22,29)(H,24,27)/t11-,14?/m0/s1
InChIKeyCXIAFAGSDCMSCC-ZSOXZCCMSA-N
XLogP-0.52
TPSA149.62 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 5-0.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[[4-chloro-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
CID 156882320
N-[1-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166744875
N-[(2R)-1-[[(2S)-4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166611577
ethane;4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]ethyl]-1H-indole-2-carboxamide;2-methylpropane
CID 164544338
[3-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl] 2,6-dimethylbenzoate;propane
CID 143139081
N-[1-[[(2S)-4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 11583936
4-methoxy-N-[2-[[4-(1,2-oxazol-3-yloxy)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;2-methylpropane
CID 163226863
N-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]sulfanyl-4-methoxy-1H-indole-2-carboxamide
CID 156884373
[(3S)-3-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-[(3S)-2-oxopiperidin-3-yl]butyl] benzoate
CID 164544451
[3-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butyl] 3,3,3-trifluoro-2,2-dimethylpropanoate
CID 167142569
[(3S)-3-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-[(3S)-2-oxopiperidin-3-yl]butyl] (2E)-2-ethenylpenta-2,4-dienoate;2-methylpropane
CID 164544327
(2S)-2-[[(2S)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid
CID 156847051

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide (CID 143139060) is N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide is COc1cccc2[nH]c(C(=O)NCC(=O)NC(C[C@@H]3CCNC3=O)C(=O)CO)cc12.
What is the InChIKey of N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide?
The InChIKey is CXIAFAGSDCMSCC-ZSOXZCCMSA-N. The full InChI is InChI=1S/C20H24N4O6/c1-30-17-4-2-3-13-12(17)8-15(23-13)20(29)22-9-18(27)24-14(16(26)10-25)7-11-5-6-21-19(11)28/h2-4,8,11,14,23,25H,5-7,9-10H2,1H3,(H,21,28)(H,22,29)(H,24,27)/t11-,14?/m0/s1.
What are the key properties of N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide?
N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide has a molecular weight of 416.43 g/mol, XLogP of -0.52, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 143139060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).