N-(3-amino-2,2-dimethylcyclobutyl)-2,5-dimethylbenzamide

C15H22N2O — CID 114632412

IUPACN-(3-amino-2,2-dimethylcyclobutyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC2CC(N)C2(C)C)c1
InChIInChI=1S/C15H22N2O/c1-9-5-6-10(2)11(7-9)14(18)17-13-8-12(16)15(13,3)4/h5-7,12-13H,8,16H2,1-4H3,(H,17,18)
InChIKeyABYKRPNPNQUQEK-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.16
Rot. Bonds2

About N-(3-amino-2,2-dimethylcyclobutyl)-2,5-dimethylbenzamide

N-(3-amino-2,2-dimethylcyclobutyl)-2,5-dimethylbenzamide (PubChem CID 114632412) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylcyclobutyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylcyclobutyl)-2,5-dimethylbenzamide
PubChem CID114632412
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(3-amino-2,2-dimethylcyclobutyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC2CC(N)C2(C)C)c1
InChIInChI=1S/C15H22N2O/c1-9-5-6-10(2)11(7-9)14(18)17-13-8-12(16)15(13,3)4/h5-7,12-13H,8,16H2,1-4H3,(H,17,18)
InChIKeyABYKRPNPNQUQEK-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylcyclobutyl)-3,5-dimethylbenzamide
CID 114632427
2-bromo-N-[(1S,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-5-methylbenzamide
CID 129381319
N-(3-amino-2,2-dimethylcyclobutyl)-2-hydroxy-4-methoxybenzamide
CID 114632319
N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dihydroxybenzamide
CID 107727566
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443
2-amino-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide
CID 62510402
5-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide
CID 113252943
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-bromo-5-methylbenzamide
CID 81111796
N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 114632329
N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethoxybenzamide
CID 114632315
N-(1-adamantyl)-2,5-dimethylbenzamide
CID 7732516
N-(2,6-dimethylcyclohexyl)-2,5-dimethylbenzamide
CID 112817281

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-2,5-dimethylbenzamide (CID 114632412) is N-(3-amino-2,2-dimethylcyclobutyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylcyclobutyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylcyclobutyl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NC2CC(N)C2(C)C)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylcyclobutyl)-2,5-dimethylbenzamide?
The InChIKey is ABYKRPNPNQUQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-9-5-6-10(2)11(7-9)14(18)17-13-8-12(16)15(13,3)4/h5-7,12-13H,8,16H2,1-4H3,(H,17,18).
What are the key properties of N-(3-amino-2,2-dimethylcyclobutyl)-2,5-dimethylbenzamide?
N-(3-amino-2,2-dimethylcyclobutyl)-2,5-dimethylbenzamide has a molecular weight of 246.35 g/mol, XLogP of 2.16, 2 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)-2,5-dimethylbenzamide is sourced from PubChem (CID 114632412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).