ethyl 4-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]benzoate

C29H29N3O5 — CID 46383956

IUPACethyl 4-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2CCc3cc(-c4ccc(C(=O)N5CCOCC5)cc4)ccc32)cc1
InChIInChI=1S/C29H29N3O5/c1-2-37-28(34)22-7-10-25(11-8-22)30-29(35)32-14-13-24-19-23(9-12-26(24)32)20-3-5-21(6-4-20)27(33)31-15-17-36-18-16-31/h3-12,19H,2,13-18H2,1H3,(H,30,35)
InChIKeyFEXJXGRSFXXDCX-UHFFFAOYSA-N
MW499.57 g/mol
LogP4.60
Rot. Bonds5

About ethyl 4-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]benzoate

ethyl 4-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]benzoate (PubChem CID 46383956) has the molecular formula C29H29N3O5 and a molecular weight of 499.57 g/mol. Its IUPAC name is ethyl 4-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]benzoate
PubChem CID46383956
Molecular FormulaC29H29N3O5
Molecular Weight499.57 g/mol
Exact Mass499.21
IUPAC Nameethyl 4-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2CCc3cc(-c4ccc(C(=O)N5CCOCC5)cc4)ccc32)cc1
InChIInChI=1S/C29H29N3O5/c1-2-37-28(34)22-7-10-25(11-8-22)30-29(35)32-14-13-24-19-23(9-12-26(24)32)20-3-5-21(6-4-20)27(33)31-15-17-36-18-16-31/h3-12,19H,2,13-18H2,1H3,(H,30,35)
InChIKeyFEXJXGRSFXXDCX-UHFFFAOYSA-N
XLogP4.60
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]benzoate with MolForge

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Related Compounds

ethyl 2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]acetate
CID 46383962
ethyl (2R)-2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]propanoate
CID 92882080
N-(2-methylpropyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 46383985
N-(2,5-dimethoxyphenyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 46259620
N-(3-methylbutyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 46383982
2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 53109904
ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate
CID 109052957
ethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate
CID 2250451
[4-[1-(4-ethylphenyl)sulfonyl-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 46383999
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711432
ethyl 4-(2,3-dihydroindole-1-carbothioylamino)benzoate
CID 3516952
ethyl 4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)benzoate
CID 970289

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]benzoate (CID 46383956) is ethyl 4-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)N2CCc3cc(-c4ccc(C(=O)N5CCOCC5)cc4)ccc32)cc1.
What is the InChIKey of ethyl 4-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]benzoate?
The InChIKey is FEXJXGRSFXXDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O5/c1-2-37-28(34)22-7-10-25(11-8-22)30-29(35)32-14-13-24-19-23(9-12-26(24)32)20-3-5-21(6-4-20)27(33)31-15-17-36-18-16-31/h3-12,19H,2,13-18H2,1H3,(H,30,35).
What are the key properties of ethyl 4-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]benzoate?
ethyl 4-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]benzoate has a molecular weight of 499.57 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]benzoate is sourced from PubChem (CID 46383956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).