N-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylacetamide

C23H26N2O3 — CID 45144945

IUPACN-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1CC2CCC(C1)N2Cc1ccc2c(c1)OCO2
InChIInChI=1S/C23H26N2O3/c26-23(11-16-4-2-1-3-5-16)24-18-12-19-7-8-20(13-18)25(19)14-17-6-9-21-22(10-17)28-15-27-21/h1-6,9-10,18-20H,7-8,11-15H2,(H,24,26)
InChIKeyTWHZNZIUTNAYQF-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.27
Rot. Bonds5

About N-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylacetamide

N-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylacetamide (PubChem CID 45144945) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylacetamide
PubChem CID45144945
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1CC2CCC(C1)N2Cc1ccc2c(c1)OCO2
InChIInChI=1S/C23H26N2O3/c26-23(11-16-4-2-1-3-5-16)24-18-12-19-7-8-20(13-18)25(19)14-17-6-9-21-22(10-17)28-15-27-21/h1-6,9-10,18-20H,7-8,11-15H2,(H,24,26)
InChIKeyTWHZNZIUTNAYQF-UHFFFAOYSA-N
XLogP3.27
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylacetamide 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-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2,3,4,5,6-pentafluorobenzamide
CID 45144948
N-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2,4,6-trichlorobenzamide
CID 46090123
N-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-sulfonamide
CID 45144928
N-(1-benzylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 9114216
4-(N-[(1R,5S)-8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]anilino)-N,N-diethylbenzamide
CID 101062548
N-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]quinoline-8-sulfonamide
CID 45144929
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)propanamide
CID 86934136
2-(1,3-benzodioxol-5-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide
CID 175641641
N-[1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-4-yl]-3-phenylpropanamide
CID 46456295
3-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 43051485
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide
CID 54577620
N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 17392024

Frequently Asked Questions

What is the IUPAC name of N-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylacetamide?
The IUPAC name of N-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylacetamide (CID 45144945) is N-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)NC1CC2CCC(C1)N2Cc1ccc2c(c1)OCO2.
What is the InChIKey of N-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylacetamide?
The InChIKey is TWHZNZIUTNAYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c26-23(11-16-4-2-1-3-5-16)24-18-12-19-7-8-20(13-18)25(19)14-17-6-9-21-22(10-17)28-15-27-21/h1-6,9-10,18-20H,7-8,11-15H2,(H,24,26).
What are the key properties of N-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylacetamide?
N-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylacetamide has a molecular weight of 378.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylacetamide is sourced from PubChem (CID 45144945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).