N-[2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-2-carboxamide

C23H23N3O3 — CID 39046356

IUPACN-[2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NCc1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C23H23N3O3/c27-22(15-25-23(28)21-6-3-13-29-21)24-14-17-7-9-18(10-8-17)16-26-12-11-19-4-1-2-5-20(19)26/h1-10,13H,11-12,14-16H2,(H,24,27)(H,25,28)
InChIKeyZYPIZWIOOVBXMY-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.89
Rot. Bonds7

About N-[2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 39046356) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-2-carboxamide
PubChem CID39046356
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NCc1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C23H23N3O3/c27-22(15-25-23(28)21-6-3-13-29-21)24-14-17-7-9-18(10-8-17)16-26-12-11-19-4-1-2-5-20(19)26/h1-10,13H,11-12,14-16H2,(H,24,27)(H,25,28)
InChIKeyZYPIZWIOOVBXMY-UHFFFAOYSA-N
XLogP2.89
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 46447030
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 55678782
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 51218620
N-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide
CID 36972876
N-[(4-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654337
N-[2-oxo-2-[[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]amino]ethyl]furan-2-carboxamide
CID 8589592
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55675974
N-[2-[[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 24548452
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52583686
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 39045691
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
CID 112838221
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-2-carboxamide (CID 39046356) is N-[2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)NCc1ccc(CN2CCc3ccccc32)cc1.
What is the InChIKey of N-[2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is ZYPIZWIOOVBXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-22(15-25-23(28)21-6-3-13-29-21)24-14-17-7-9-18(10-8-17)16-26-12-11-19-4-1-2-5-20(19)26/h1-10,13H,11-12,14-16H2,(H,24,27)(H,25,28).
What are the key properties of N-[2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 39046356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).