N-[4-[methoxy(methyl)carbamoyl]phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide

C20H27N3O3 — CID 102557692

IUPACN-[4-[methoxy(methyl)carbamoyl]phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
SMILESCON(C)C(=O)c1ccc(NC(=O)N2CC3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C20H27N3O3/c1-22(26-2)19(24)16-3-5-17(6-4-16)21-20(25)23-12-15-8-13-7-14(9-15)11-18(23)10-13/h3-6,13-15,18H,7-12H2,1-2H3,(H,21,25)
InChIKeyMOIYJFUDSGUAMR-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.36
Rot. Bonds3

About N-[4-[methoxy(methyl)carbamoyl]phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide

N-[4-[methoxy(methyl)carbamoyl]phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide (PubChem CID 102557692) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[4-[methoxy(methyl)carbamoyl]phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide.

Molecular Properties

Compound NameN-[4-[methoxy(methyl)carbamoyl]phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
PubChem CID102557692
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[4-[methoxy(methyl)carbamoyl]phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
SMILESCON(C)C(=O)c1ccc(NC(=O)N2CC3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C20H27N3O3/c1-22(26-2)19(24)16-3-5-17(6-4-16)21-20(25)23-12-15-8-13-7-14(9-15)11-18(23)10-13/h3-6,13-15,18H,7-12H2,1-2H3,(H,21,25)
InChIKeyMOIYJFUDSGUAMR-UHFFFAOYSA-N
XLogP3.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[methoxy(methyl)carbamoyl]phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The IUPAC name of N-[4-[methoxy(methyl)carbamoyl]phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide (CID 102557692) is N-[4-[methoxy(methyl)carbamoyl]phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide.
What is the SMILES notation for N-[4-[methoxy(methyl)carbamoyl]phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The canonical SMILES for N-[4-[methoxy(methyl)carbamoyl]phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide is CON(C)C(=O)c1ccc(NC(=O)N2CC3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-[4-[methoxy(methyl)carbamoyl]phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The InChIKey is MOIYJFUDSGUAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-22(26-2)19(24)16-3-5-17(6-4-16)21-20(25)23-12-15-8-13-7-14(9-15)11-18(23)10-13/h3-6,13-15,18H,7-12H2,1-2H3,(H,21,25).
What are the key properties of N-[4-[methoxy(methyl)carbamoyl]phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
N-[4-[methoxy(methyl)carbamoyl]phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methoxy(methyl)carbamoyl]phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide is sourced from PubChem (CID 102557692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).