N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C22H32N2O3 — CID 123585198

IUPACN-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(C)OCN1CC2C(C1)C2C(=O)NC(C)(C)C1COc2ccccc21
InChIInChI=1S/C22H32N2O3/c1-21(2,3)27-13-24-10-15-16(11-24)19(15)20(25)23-22(4,5)17-12-26-18-9-7-6-8-14(17)18/h6-9,15-17,19H,10-13H2,1-5H3,(H,23,25)
InChIKeyOHMAXGAWXHZDDU-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.01
Rot. Bonds5

About N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 123585198) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID123585198
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(C)OCN1CC2C(C1)C2C(=O)NC(C)(C)C1COc2ccccc21
InChIInChI=1S/C22H32N2O3/c1-21(2,3)27-13-24-10-15-16(11-24)19(15)20(25)23-22(4,5)17-12-26-18-9-7-6-8-14(17)18/h6-9,15-17,19H,10-13H2,1-5H3,(H,23,25)
InChIKeyOHMAXGAWXHZDDU-UHFFFAOYSA-N
XLogP3.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 123585198) is N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(C)OCN1CC2C(C1)C2C(=O)NC(C)(C)C1COc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is OHMAXGAWXHZDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-21(2,3)27-13-24-10-15-16(11-24)19(15)20(25)23-22(4,5)17-12-26-18-9-7-6-8-14(17)18/h6-9,15-17,19H,10-13H2,1-5H3,(H,23,25).
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 3.01, 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-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 123585198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).