N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide

C26H25N3O3 — CID 98364953

IUPACN-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
SMILESO=C(CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccccc1CN1CCc2ccccc21
InChIInChI=1S/C26H25N3O3/c30-22(15-29-25(31)23-17-9-10-18(13-17)24(23)26(29)32)27-20-7-3-1-6-19(20)14-28-12-11-16-5-2-4-8-21(16)28/h1-10,17-18,23-24H,11-15H2,(H,27,30)/t17-,18-,23-,24+/m0/s1
InChIKeyYMDLGCXXGKIUIB-BYIOMEFUSA-N
MW427.50 g/mol
LogP2.99
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide

N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide (PubChem CID 98364953) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
PubChem CID98364953
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
SMILESO=C(CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccccc1CN1CCc2ccccc21
InChIInChI=1S/C26H25N3O3/c30-22(15-29-25(31)23-17-9-10-18(13-17)24(23)26(29)32)27-20-7-3-1-6-19(20)14-28-12-11-16-5-2-4-8-21(16)28/h1-10,17-18,23-24H,11-15H2,(H,27,30)/t17-,18-,23-,24+/m0/s1
InChIKeyYMDLGCXXGKIUIB-BYIOMEFUSA-N
XLogP2.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 129419104
3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide
CID 119853062
2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(2-hydroxyphenyl)acetamide
CID 98139003
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55895207
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 3242996
2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 98186401
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 55895462
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 60532329
(3S)-1-cyclopropyl-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94619774
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 55895212
methyl 2-[[2-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetyl]amino]benzoate
CID 1330975
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 75502903

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide (CID 98364953) is N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide is O=C(CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccccc1CN1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide?
The InChIKey is YMDLGCXXGKIUIB-BYIOMEFUSA-N. The full InChI is InChI=1S/C26H25N3O3/c30-22(15-29-25(31)23-17-9-10-18(13-17)24(23)26(29)32)27-20-7-3-1-6-19(20)14-28-12-11-16-5-2-4-8-21(16)28/h1-10,17-18,23-24H,11-15H2,(H,27,30)/t17-,18-,23-,24+/m0/s1.
What are the key properties of N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide?
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide has a molecular weight of 427.50 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide is sourced from PubChem (CID 98364953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).