phenyl N-[3-(1H-indol-3-yl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]carbamate

C25H23N3O4 — CID 2876163

IUPACphenyl N-[3-(1H-indol-3-yl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]carbamate
SMILESCOc1ccccc1NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1
InChIInChI=1S/C25H23N3O4/c1-31-23-14-8-7-13-21(23)27-24(29)22(28-25(30)32-18-9-3-2-4-10-18)15-17-16-26-20-12-6-5-11-19(17)20/h2-14,16,22,26H,15H2,1H3,(H,27,29)(H,28,30)
InChIKeyCTZTVEDKZURXHC-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.51
Rot. Bonds7

About phenyl N-[3-(1H-indol-3-yl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]carbamate

phenyl N-[3-(1H-indol-3-yl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]carbamate (PubChem CID 2876163) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is phenyl N-[3-(1H-indol-3-yl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-(1H-indol-3-yl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]carbamate
PubChem CID2876163
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Namephenyl N-[3-(1H-indol-3-yl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]carbamate
SMILESCOc1ccccc1NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1
InChIInChI=1S/C25H23N3O4/c1-31-23-14-8-7-13-21(23)27-24(29)22(28-25(30)32-18-9-3-2-4-10-18)15-17-16-26-20-12-6-5-11-19(17)20/h2-14,16,22,26H,15H2,1H3,(H,27,29)(H,28,30)
InChIKeyCTZTVEDKZURXHC-UHFFFAOYSA-N
XLogP4.51
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[(2S)-3-(1H-indol-3-yl)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamate
CID 126005434
phenyl N-[(2S)-1-(5-chloro-2-methylanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 126005197
2-methylpropyl N-[(2S)-1-(2,5-dimethoxyanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 126003600
phenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 3136694
ethyl N-[(2R)-1-(5-chloro-2-methoxyanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 126011247
ethyl N-[(2R)-1-(2-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 46499919
ethyl N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 40830371
phenyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110286456
tert-butyl N-[(2S)-3-(1H-indol-3-yl)-1-(4-methoxyanilino)-1-oxopropan-2-yl]carbamate
CID 7437847
[3-(1H-indol-3-yl)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]carbamic acid;hydrate
CID 174323303
2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(2-methylphenyl)propanamide
CID 3110636
methyl (2S)-3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate
CID 7018187

Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(1H-indol-3-yl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of phenyl N-[3-(1H-indol-3-yl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]carbamate (CID 2876163) is phenyl N-[3-(1H-indol-3-yl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for phenyl N-[3-(1H-indol-3-yl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for phenyl N-[3-(1H-indol-3-yl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]carbamate is COc1ccccc1NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[3-(1H-indol-3-yl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]carbamate?
The InChIKey is CTZTVEDKZURXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-31-23-14-8-7-13-21(23)27-24(29)22(28-25(30)32-18-9-3-2-4-10-18)15-17-16-26-20-12-6-5-11-19(17)20/h2-14,16,22,26H,15H2,1H3,(H,27,29)(H,28,30).
What are the key properties of phenyl N-[3-(1H-indol-3-yl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]carbamate?
phenyl N-[3-(1H-indol-3-yl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]carbamate has a molecular weight of 429.48 g/mol, XLogP of 4.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(1H-indol-3-yl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 2876163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).