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

C26H36N4O6 — CID 70330988

IUPAC4-methoxy-N-[(2S)-1-[[(2S)-4-methoxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
SMILESCOCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)(C)C)NC(=O)c1cc2c(OC)cccc2[nH]1
InChIInChI=1S/C26H36N4O6/c1-26(2,3)13-20(30-24(33)19-12-16-17(28-19)7-6-8-22(16)36-5)25(34)29-18(21(31)14-35-4)11-15-9-10-27-23(15)32/h6-8,12,15,18,20,28H,9-11,13-14H2,1-5H3,(H,27,32)(H,29,34)(H,30,33)/t15-,18-,20-/m0/s1
InChIKeyPEWZDBOBEGIBSD-QSFXBCCZSA-N
MW500.60 g/mol
LogP1.94
Rot. Bonds11

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

4-methoxy-N-[(2S)-1-[[(2S)-4-methoxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide (PubChem CID 70330988) has the molecular formula C26H36N4O6 and a molecular weight of 500.60 g/mol. Its IUPAC name is 4-methoxy-N-[(2S)-1-[[(2S)-4-methoxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[(2S)-1-[[(2S)-4-methoxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
PubChem CID70330988
Molecular FormulaC26H36N4O6
Molecular Weight500.60 g/mol
Exact Mass500.26
IUPAC Name4-methoxy-N-[(2S)-1-[[(2S)-4-methoxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
SMILESCOCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)(C)C)NC(=O)c1cc2c(OC)cccc2[nH]1
InChIInChI=1S/C26H36N4O6/c1-26(2,3)13-20(30-24(33)19-12-16-17(28-19)7-6-8-22(16)36-5)25(34)29-18(21(31)14-35-4)11-15-9-10-27-23(15)32/h6-8,12,15,18,20,28H,9-11,13-14H2,1-5H3,(H,27,32)(H,29,34)(H,30,33)/t15-,18-,20-/m0/s1
InChIKeyPEWZDBOBEGIBSD-QSFXBCCZSA-N
XLogP1.94
TPSA138.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2S)-1-[[(2S)-4-methoxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 4-methoxy-N-[(2S)-1-[[(2S)-4-methoxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide (CID 70330988) is 4-methoxy-N-[(2S)-1-[[(2S)-4-methoxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[(2S)-1-[[(2S)-4-methoxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[(2S)-1-[[(2S)-4-methoxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide is COCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)(C)C)NC(=O)c1cc2c(OC)cccc2[nH]1.
What is the InChIKey of 4-methoxy-N-[(2S)-1-[[(2S)-4-methoxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is PEWZDBOBEGIBSD-QSFXBCCZSA-N. The full InChI is InChI=1S/C26H36N4O6/c1-26(2,3)13-20(30-24(33)19-12-16-17(28-19)7-6-8-22(16)36-5)25(34)29-18(21(31)14-35-4)11-15-9-10-27-23(15)32/h6-8,12,15,18,20,28H,9-11,13-14H2,1-5H3,(H,27,32)(H,29,34)(H,30,33)/t15-,18-,20-/m0/s1.
What are the key properties of 4-methoxy-N-[(2S)-1-[[(2S)-4-methoxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide?
4-methoxy-N-[(2S)-1-[[(2S)-4-methoxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 500.60 g/mol, XLogP of 1.94, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2S)-1-[[(2S)-4-methoxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 70330988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).