N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethoxybenzamide

C15H22N2O3 — CID 114632315

IUPACN-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC(N)C2(C)C)cc1OC
InChIInChI=1S/C15H22N2O3/c1-15(2)12(16)8-13(15)17-14(18)9-5-6-10(19-3)11(7-9)20-4/h5-7,12-13H,8,16H2,1-4H3,(H,17,18)
InChIKeyWFBCJQNQJQCORJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.56
Rot. Bonds4

About N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethoxybenzamide

N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethoxybenzamide (PubChem CID 114632315) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethoxybenzamide
PubChem CID114632315
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC(N)C2(C)C)cc1OC
InChIInChI=1S/C15H22N2O3/c1-15(2)12(16)8-13(15)17-14(18)9-5-6-10(19-3)11(7-9)20-4/h5-7,12-13H,8,16H2,1-4H3,(H,17,18)
InChIKeyWFBCJQNQJQCORJ-UHFFFAOYSA-N
XLogP1.56
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethoxybenzamide (CID 114632315) is N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)NC2CC(N)C2(C)C)cc1OC.
What is the InChIKey of N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethoxybenzamide?
The InChIKey is WFBCJQNQJQCORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2)12(16)8-13(15)17-14(18)9-5-6-10(19-3)11(7-9)20-4/h5-7,12-13H,8,16H2,1-4H3,(H,17,18).
What are the key properties of N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethoxybenzamide?
N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethoxybenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 114632315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).