5-[2-(benzylamino)-2-oxoethoxy]-N-(furan-2-ylmethyl)-1,2-dimethylindole-3-carboxamide

C25H25N3O4 — CID 175187274

IUPAC5-[2-(benzylamino)-2-oxoethoxy]-N-(furan-2-ylmethyl)-1,2-dimethylindole-3-carboxamide
SMILESCc1c(C(=O)NCc2ccco2)c2cc(OCC(=O)NCc3ccccc3)ccc2n1C
InChIInChI=1S/C25H25N3O4/c1-17-24(25(30)27-15-20-9-6-12-31-20)21-13-19(10-11-22(21)28(17)2)32-16-23(29)26-14-18-7-4-3-5-8-18/h3-13H,14-16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyPAYFMFZRYGFIMX-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.70
Rot. Bonds8

About 5-[2-(benzylamino)-2-oxoethoxy]-N-(furan-2-ylmethyl)-1,2-dimethylindole-3-carboxamide

5-[2-(benzylamino)-2-oxoethoxy]-N-(furan-2-ylmethyl)-1,2-dimethylindole-3-carboxamide (PubChem CID 175187274) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 5-[2-(benzylamino)-2-oxoethoxy]-N-(furan-2-ylmethyl)-1,2-dimethylindole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(benzylamino)-2-oxoethoxy]-N-(furan-2-ylmethyl)-1,2-dimethylindole-3-carboxamide
PubChem CID175187274
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name5-[2-(benzylamino)-2-oxoethoxy]-N-(furan-2-ylmethyl)-1,2-dimethylindole-3-carboxamide
SMILESCc1c(C(=O)NCc2ccco2)c2cc(OCC(=O)NCc3ccccc3)ccc2n1C
InChIInChI=1S/C25H25N3O4/c1-17-24(25(30)27-15-20-9-6-12-31-20)21-13-19(10-11-22(21)28(17)2)32-16-23(29)26-14-18-7-4-3-5-8-18/h3-13H,14-16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyPAYFMFZRYGFIMX-UHFFFAOYSA-N
XLogP3.70
TPSA85.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 692240
2-(3-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112977702
N'-[(Z)-[3-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126254438
2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 51141583
N-(furan-2-ylmethyl)-2-quinoxalin-6-yloxyacetamide
CID 51362583
methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate
CID 7671527
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9079933
N-benzyl-2-(furan-2-ylmethylamino)acetamide
CID 43084380
2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxopyrimido[5,4-b]indol-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 22424071
N-[(1,2-dimethylindol-3-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110782421
N-[(1,2-dimethylindol-3-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 110782432
N-(furan-2-ylmethyl)-2-[[(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide
CID 95973166

Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzylamino)-2-oxoethoxy]-N-(furan-2-ylmethyl)-1,2-dimethylindole-3-carboxamide?
The IUPAC name of 5-[2-(benzylamino)-2-oxoethoxy]-N-(furan-2-ylmethyl)-1,2-dimethylindole-3-carboxamide (CID 175187274) is 5-[2-(benzylamino)-2-oxoethoxy]-N-(furan-2-ylmethyl)-1,2-dimethylindole-3-carboxamide.
What is the SMILES notation for 5-[2-(benzylamino)-2-oxoethoxy]-N-(furan-2-ylmethyl)-1,2-dimethylindole-3-carboxamide?
The canonical SMILES for 5-[2-(benzylamino)-2-oxoethoxy]-N-(furan-2-ylmethyl)-1,2-dimethylindole-3-carboxamide is Cc1c(C(=O)NCc2ccco2)c2cc(OCC(=O)NCc3ccccc3)ccc2n1C.
What is the InChIKey of 5-[2-(benzylamino)-2-oxoethoxy]-N-(furan-2-ylmethyl)-1,2-dimethylindole-3-carboxamide?
The InChIKey is PAYFMFZRYGFIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-17-24(25(30)27-15-20-9-6-12-31-20)21-13-19(10-11-22(21)28(17)2)32-16-23(29)26-14-18-7-4-3-5-8-18/h3-13H,14-16H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 5-[2-(benzylamino)-2-oxoethoxy]-N-(furan-2-ylmethyl)-1,2-dimethylindole-3-carboxamide?
5-[2-(benzylamino)-2-oxoethoxy]-N-(furan-2-ylmethyl)-1,2-dimethylindole-3-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzylamino)-2-oxoethoxy]-N-(furan-2-ylmethyl)-1,2-dimethylindole-3-carboxamide is sourced from PubChem (CID 175187274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).