N-[2-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-1-carbonyl]phenyl]methylamino]ethyl]acetamide

C28H29N3O4 — CID 175171314

IUPACN-[2-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-1-carbonyl]phenyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(C(=O)N2CCc3c(-c4ccc5c(c4)OCCO5)cccc32)cc1
InChIInChI=1S/C28H29N3O4/c1-19(32)30-13-12-29-18-20-5-7-21(8-6-20)28(33)31-14-11-24-23(3-2-4-25(24)31)22-9-10-26-27(17-22)35-16-15-34-26/h2-10,17,29H,11-16,18H2,1H3,(H,30,32)
InChIKeyLROTYDMXHGUUCY-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.55
Rot. Bonds7

About N-[2-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-1-carbonyl]phenyl]methylamino]ethyl]acetamide

N-[2-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-1-carbonyl]phenyl]methylamino]ethyl]acetamide (PubChem CID 175171314) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[2-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-1-carbonyl]phenyl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-1-carbonyl]phenyl]methylamino]ethyl]acetamide
PubChem CID175171314
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC NameN-[2-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-1-carbonyl]phenyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(C(=O)N2CCc3c(-c4ccc5c(c4)OCCO5)cccc32)cc1
InChIInChI=1S/C28H29N3O4/c1-19(32)30-13-12-29-18-20-5-7-21(8-6-20)28(33)31-14-11-24-23(3-2-4-25(24)31)22-9-10-26-27(17-22)35-16-15-34-26/h2-10,17,29H,11-16,18H2,1H3,(H,30,32)
InChIKeyLROTYDMXHGUUCY-UHFFFAOYSA-N
XLogP3.55
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-1-carbonyl]phenyl]methylamino]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-1-carbonyl]phenyl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-1-carbonyl]phenyl]methylamino]ethyl]acetamide (CID 175171314) is N-[2-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-1-carbonyl]phenyl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-1-carbonyl]phenyl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-1-carbonyl]phenyl]methylamino]ethyl]acetamide is CC(=O)NCCNCc1ccc(C(=O)N2CCc3c(-c4ccc5c(c4)OCCO5)cccc32)cc1.
What is the InChIKey of N-[2-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-1-carbonyl]phenyl]methylamino]ethyl]acetamide?
The InChIKey is LROTYDMXHGUUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-19(32)30-13-12-29-18-20-5-7-21(8-6-20)28(33)31-14-11-24-23(3-2-4-25(24)31)22-9-10-26-27(17-22)35-16-15-34-26/h2-10,17,29H,11-16,18H2,1H3,(H,30,32).
What are the key properties of N-[2-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-1-carbonyl]phenyl]methylamino]ethyl]acetamide?
N-[2-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-1-carbonyl]phenyl]methylamino]ethyl]acetamide has a molecular weight of 471.56 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-1-carbonyl]phenyl]methylamino]ethyl]acetamide is sourced from PubChem (CID 175171314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).