4-methoxy-N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-prop-2-ynoylamino]propyl]-1H-indole-2-carboxamide;2-methylpropane

C25H32N4O5 — CID 165399233

IUPAC4-methoxy-N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-prop-2-ynoylamino]propyl]-1H-indole-2-carboxamide;2-methylpropane
SMILESC#CC(=O)N(CC(=O)CNC(=O)c1cc2c(OC)cccc2[nH]1)CC1CCNC1=O.CC(C)C
InChIInChI=1S/C21H22N4O5.C4H10/c1-3-19(27)25(11-13-7-8-22-20(13)28)12-14(26)10-23-21(29)17-9-15-16(24-17)5-4-6-18(15)30-2;1-4(2)3/h1,4-6,9,13,24H,7-8,10-12H2,2H3,(H,22,28)(H,23,29);4H,1-3H3
InChIKeyJBEFROMXWWELAP-UHFFFAOYSA-N
MW468.55 g/mol
LogP1.74
Rot. Bonds8

About 4-methoxy-N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-prop-2-ynoylamino]propyl]-1H-indole-2-carboxamide;2-methylpropane

4-methoxy-N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-prop-2-ynoylamino]propyl]-1H-indole-2-carboxamide;2-methylpropane (PubChem CID 165399233) has the molecular formula C25H32N4O5 and a molecular weight of 468.55 g/mol. Its IUPAC name is 4-methoxy-N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-prop-2-ynoylamino]propyl]-1H-indole-2-carboxamide;2-methylpropane.

Molecular Properties

Compound Name4-methoxy-N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-prop-2-ynoylamino]propyl]-1H-indole-2-carboxamide;2-methylpropane
PubChem CID165399233
Molecular FormulaC25H32N4O5
Molecular Weight468.55 g/mol
Exact Mass468.24
IUPAC Name4-methoxy-N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-prop-2-ynoylamino]propyl]-1H-indole-2-carboxamide;2-methylpropane
SMILESC#CC(=O)N(CC(=O)CNC(=O)c1cc2c(OC)cccc2[nH]1)CC1CCNC1=O.CC(C)C
InChIInChI=1S/C21H22N4O5.C4H10/c1-3-19(27)25(11-13-7-8-22-20(13)28)12-14(26)10-23-21(29)17-9-15-16(24-17)5-4-6-18(15)30-2;1-4(2)3/h1,4-6,9,13,24H,7-8,10-12H2,2H3,(H,22,28)(H,23,29);4H,1-3H3
InChIKeyJBEFROMXWWELAP-UHFFFAOYSA-N
XLogP1.74
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

S-methyl N-[3-[(4-methoxy-1H-indole-2-carbonyl)amino]-2-oxopropyl]-N-[[(3S)-2-oxopyrrolidin-3-yl]methyl]carbamothioate;2-methylpropane
CID 165399344
4-methoxy-N-[3-[methylsulfinylcarbonyl-[(2-oxopyrrolidin-3-yl)methyl]amino]-2-oxopropyl]-1H-indole-2-carboxamide
CID 165399275
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
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
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
N-[(2S)-1-[2-(cyanomethyl)-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 165384450
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
4-methoxy-N-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-2-propanoylhydrazinyl]pentan-2-yl]-1H-indole-2-carboxamide
CID 167534112
N-[2-[[(2S)-4-(2,6-difluorophenoxy)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-propan-2-ylamino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
CID 163226918
4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]-propan-2-ylamino]ethyl]-1H-indole-2-carboxamide
CID 164544325
N-[2-[[1-cyano-1-(2-hydroxyprop-2-enylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]prop-2-enyl]-4-methoxy-1H-indole-2-carboxamide
CID 166893456
N-[(3S)-1-[(2-chloroacetyl)-[(2-oxopiperidin-3-yl)methyl]amino]-5-methyl-2-oxohexan-3-yl]-4-methoxy-1H-indole-2-carboxamide
CID 165384347

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-prop-2-ynoylamino]propyl]-1H-indole-2-carboxamide;2-methylpropane?
The IUPAC name of 4-methoxy-N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-prop-2-ynoylamino]propyl]-1H-indole-2-carboxamide;2-methylpropane (CID 165399233) is 4-methoxy-N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-prop-2-ynoylamino]propyl]-1H-indole-2-carboxamide;2-methylpropane.
What is the SMILES notation for 4-methoxy-N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-prop-2-ynoylamino]propyl]-1H-indole-2-carboxamide;2-methylpropane?
The canonical SMILES for 4-methoxy-N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-prop-2-ynoylamino]propyl]-1H-indole-2-carboxamide;2-methylpropane is C#CC(=O)N(CC(=O)CNC(=O)c1cc2c(OC)cccc2[nH]1)CC1CCNC1=O.CC(C)C.
What is the InChIKey of 4-methoxy-N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-prop-2-ynoylamino]propyl]-1H-indole-2-carboxamide;2-methylpropane?
The InChIKey is JBEFROMXWWELAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5.C4H10/c1-3-19(27)25(11-13-7-8-22-20(13)28)12-14(26)10-23-21(29)17-9-15-16(24-17)5-4-6-18(15)30-2;1-4(2)3/h1,4-6,9,13,24H,7-8,10-12H2,2H3,(H,22,28)(H,23,29);4H,1-3H3.
What are the key properties of 4-methoxy-N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-prop-2-ynoylamino]propyl]-1H-indole-2-carboxamide;2-methylpropane?
4-methoxy-N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-prop-2-ynoylamino]propyl]-1H-indole-2-carboxamide;2-methylpropane has a molecular weight of 468.55 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-prop-2-ynoylamino]propyl]-1H-indole-2-carboxamide;2-methylpropane is sourced from PubChem (CID 165399233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).