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N-[[2-(1-aminoethyl)phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide

C31H35N5O3 — CID 142473450

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[2-(1-aminoethyl)phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
SMILESCC(N)c1ccccc1CN(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)C(C)(C)C
InChIInChI=1S/C31H35N5O3/c1-19(32)24-9-6-5-8-21(24)17-36(29(39)30(2,3)4)18-26(37)34-23-12-11-20-15-31(16-22(20)14-23)25-10-7-13-33-27(25)35-28(31)38/h5-14,19H,15-18,32H2,1-4H3,(H,34,37)(H,33,35,38)
InChIKeyBNZBJWPVNVFOEZ-UHFFFAOYSA-N
MW525.65 g/mol
LogP4.10
Rot. Bonds6

About N-[[2-(1-aminoethyl)phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide

N-[[2-(1-aminoethyl)phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide (PubChem CID 142473450) has the molecular formula C31H35N5O3 and a molecular weight of 525.65 g/mol. Its IUPAC name is N-[[2-(1-aminoethyl)phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide.

Molecular Properties

Compound NameN-[[2-(1-aminoethyl)phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
PubChem CID142473450
Molecular FormulaC31H35N5O3
Molecular Weight525.65 g/mol
Exact Mass525.27
IUPAC NameN-[[2-(1-aminoethyl)phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
SMILESCC(N)c1ccccc1CN(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)C(C)(C)C
InChIInChI=1S/C31H35N5O3/c1-19(32)24-9-6-5-8-21(24)17-36(29(39)30(2,3)4)18-26(37)34-23-12-11-20-15-31(16-22(20)14-23)25-10-7-13-33-27(25)35-28(31)38/h5-14,19H,15-18,32H2,1-4H3,(H,34,37)(H,33,35,38)
InChIKeyBNZBJWPVNVFOEZ-UHFFFAOYSA-N
XLogP4.10
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.65
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[2-(1-aminoethyl)phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-aminoethyl)phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide?
The IUPAC name of N-[[2-(1-aminoethyl)phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide (CID 142473450) is N-[[2-(1-aminoethyl)phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide.
What is the SMILES notation for N-[[2-(1-aminoethyl)phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide?
The canonical SMILES for N-[[2-(1-aminoethyl)phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide is CC(N)c1ccccc1CN(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)C(C)(C)C.
What is the InChIKey of N-[[2-(1-aminoethyl)phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide?
The InChIKey is BNZBJWPVNVFOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O3/c1-19(32)24-9-6-5-8-21(24)17-36(29(39)30(2,3)4)18-26(37)34-23-12-11-20-15-31(16-22(20)14-23)25-10-7-13-33-27(25)35-28(31)38/h5-14,19H,15-18,32H2,1-4H3,(H,34,37)(H,33,35,38).
What are the key properties of N-[[2-(1-aminoethyl)phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide?
N-[[2-(1-aminoethyl)phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide has a molecular weight of 525.65 g/mol, XLogP of 4.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-aminoethyl)phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide is sourced from PubChem (CID 142473450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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