N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1H-indol-3-yl)propanamide

C19H25N3O2 — CID 91783422

IUPACN-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1H-indol-3-yl)propanamide
SMILESCN(C)[C@@H]1[C@@H](NC(=O)CCc2c[nH]c3ccccc23)[C@H]2CCO[C@H]21
InChIInChI=1S/C19H25N3O2/c1-22(2)18-17(14-9-10-24-19(14)18)21-16(23)8-7-12-11-20-15-6-4-3-5-13(12)15/h3-6,11,14,17-20H,7-10H2,1-2H3,(H,21,23)/t14-,17+,18-,19-/m1/s1
InChIKeyOFVKJDPMUAZBCI-ZWQIFLOQSA-N
MW327.43 g/mol
LogP1.93
Rot. Bonds5

About N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1H-indol-3-yl)propanamide

N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1H-indol-3-yl)propanamide (PubChem CID 91783422) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1H-indol-3-yl)propanamide
PubChem CID91783422
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1H-indol-3-yl)propanamide
SMILESCN(C)[C@@H]1[C@@H](NC(=O)CCc2c[nH]c3ccccc23)[C@H]2CCO[C@H]21
InChIInChI=1S/C19H25N3O2/c1-22(2)18-17(14-9-10-24-19(14)18)21-16(23)8-7-12-11-20-15-6-4-3-5-13(12)15/h3-6,11,14,17-20H,7-10H2,1-2H3,(H,21,23)/t14-,17+,18-,19-/m1/s1
InChIKeyOFVKJDPMUAZBCI-ZWQIFLOQSA-N
XLogP1.93
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1H-indol-3-yl)propanamide 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

3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 106995348
3-(1H-indol-3-yl)-N-(3-methylcyclohexyl)propanamide
CID 43420888
3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 35220767
N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(1H-indol-3-yl)-N-methylbutanamide
CID 124810322
N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(1H-indol-3-yl)-N-methylbutanamide
CID 95635245
N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(1H-indol-3-yl)-N-methylbutanamide
CID 95635247
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide
CID 125430344
oxan-2-yl 3-(1H-indol-3-yl)propanoate
CID 142492756
[(2S)-oxan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 153373309
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 26447481

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1H-indol-3-yl)propanamide (CID 91783422) is N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1H-indol-3-yl)propanamide is CN(C)[C@@H]1[C@@H](NC(=O)CCc2c[nH]c3ccccc23)[C@H]2CCO[C@H]21.
What is the InChIKey of N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is OFVKJDPMUAZBCI-ZWQIFLOQSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-22(2)18-17(14-9-10-24-19(14)18)21-16(23)8-7-12-11-20-15-6-4-3-5-13(12)15/h3-6,11,14,17-20H,7-10H2,1-2H3,(H,21,23)/t14-,17+,18-,19-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1H-indol-3-yl)propanamide?
N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 327.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 91783422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).