N-(3-amino-2,2-dimethylcyclobutyl)-2-(3,4-dimethylphenyl)acetamide

C16H24N2O — CID 114632478

IUPACN-(3-amino-2,2-dimethylcyclobutyl)-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC2CC(N)C2(C)C)cc1C
InChIInChI=1S/C16H24N2O/c1-10-5-6-12(7-11(10)2)8-15(19)18-14-9-13(17)16(14,3)4/h5-7,13-14H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyVUARUCQYDYCCSU-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.09
Rot. Bonds3

About N-(3-amino-2,2-dimethylcyclobutyl)-2-(3,4-dimethylphenyl)acetamide

N-(3-amino-2,2-dimethylcyclobutyl)-2-(3,4-dimethylphenyl)acetamide (PubChem CID 114632478) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylcyclobutyl)-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylcyclobutyl)-2-(3,4-dimethylphenyl)acetamide
PubChem CID114632478
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(3-amino-2,2-dimethylcyclobutyl)-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC2CC(N)C2(C)C)cc1C
InChIInChI=1S/C16H24N2O/c1-10-5-6-12(7-11(10)2)8-15(19)18-14-9-13(17)16(14,3)4/h5-7,13-14H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyVUARUCQYDYCCSU-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-2-(3,4-dimethylphenyl)acetamide (CID 114632478) is N-(3-amino-2,2-dimethylcyclobutyl)-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylcyclobutyl)-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylcyclobutyl)-2-(3,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)NC2CC(N)C2(C)C)cc1C.
What is the InChIKey of N-(3-amino-2,2-dimethylcyclobutyl)-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is VUARUCQYDYCCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-10-5-6-12(7-11(10)2)8-15(19)18-14-9-13(17)16(14,3)4/h5-7,13-14H,8-9,17H2,1-4H3,(H,18,19).
What are the key properties of N-(3-amino-2,2-dimethylcyclobutyl)-2-(3,4-dimethylphenyl)acetamide?
N-(3-amino-2,2-dimethylcyclobutyl)-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 260.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylcyclobutyl)-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 114632478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).