N-[1-[[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4,4-dimethylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide

C24H35N5O4 — CID 175457998

IUPACN-[1-[[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4,4-dimethylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)NC(CNC(CC3CCNC3=O)C(N)=O)CC(C)(C)C)cc12
InChIInChI=1S/C24H35N5O4/c1-24(2,3)12-15(13-27-18(21(25)30)10-14-8-9-26-22(14)31)28-23(32)19-11-16-17(29-19)6-5-7-20(16)33-4/h5-7,11,14-15,18,27,29H,8-10,12-13H2,1-4H3,(H2,25,30)(H,26,31)(H,28,32)
InChIKeyUKROZWQRFZQZHL-UHFFFAOYSA-N
MW457.58 g/mol
LogP1.68
Rot. Bonds10

About N-[1-[[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4,4-dimethylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide

N-[1-[[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4,4-dimethylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide (PubChem CID 175457998) has the molecular formula C24H35N5O4 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-[1-[[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4,4-dimethylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4,4-dimethylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
PubChem CID175457998
Molecular FormulaC24H35N5O4
Molecular Weight457.58 g/mol
Exact Mass457.27
IUPAC NameN-[1-[[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4,4-dimethylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)NC(CNC(CC3CCNC3=O)C(N)=O)CC(C)(C)C)cc12
InChIInChI=1S/C24H35N5O4/c1-24(2,3)12-15(13-27-18(21(25)30)10-14-8-9-26-22(14)31)28-23(32)19-11-16-17(29-19)6-5-7-20(16)33-4/h5-7,11,14-15,18,27,29H,8-10,12-13H2,1-4H3,(H2,25,30)(H,26,31)(H,28,32)
InChIKeyUKROZWQRFZQZHL-UHFFFAOYSA-N
XLogP1.68
TPSA138.34 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 51.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze N-[1-[[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4,4-dimethylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[1-[[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166745002
N-[1-[[1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-fluoro-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 175458342
(2S)-2-[[(2S)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid
CID 166744822
N-[1-[[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166840713
(2S)-2-[[(2S)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanethioic S-acid
CID 165416296
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
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-cyclobutyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 162479078
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 167691438
methyl 2-[[3-cyclohexyl-2-[(4-methoxy-1H-indole-2-carbonyl)amino]propanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoate
CID 166744762
(2S)-2-[[(2S)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid
CID 156847051
bis[(5S)-5-[[(2S)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]-2-methyl-4-oxo-6-[(3S)-2-oxopyrrolidin-3-yl]hexan-2-yl] carbonate
CID 175250664
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4,4-dimethylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4,4-dimethylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide (CID 175457998) is N-[1-[[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4,4-dimethylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4,4-dimethylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4,4-dimethylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide is COc1cccc2[nH]c(C(=O)NC(CNC(CC3CCNC3=O)C(N)=O)CC(C)(C)C)cc12.
What is the InChIKey of N-[1-[[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4,4-dimethylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
The InChIKey is UKROZWQRFZQZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O4/c1-24(2,3)12-15(13-27-18(21(25)30)10-14-8-9-26-22(14)31)28-23(32)19-11-16-17(29-19)6-5-7-20(16)33-4/h5-7,11,14-15,18,27,29H,8-10,12-13H2,1-4H3,(H2,25,30)(H,26,31)(H,28,32).
What are the key properties of N-[1-[[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4,4-dimethylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
N-[1-[[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4,4-dimethylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide has a molecular weight of 457.58 g/mol, XLogP of 1.68, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4,4-dimethylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 175457998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).