N-(2-amino-2-oxoethyl)-1-(3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide

C16H22N2O2 — CID 56818102

IUPACN-(2-amino-2-oxoethyl)-1-(3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide
SMILESCc1cc(C)cc(C2(C(=O)N(C)CC(N)=O)CCC2)c1
InChIInChI=1S/C16H22N2O2/c1-11-7-12(2)9-13(8-11)16(5-4-6-16)15(20)18(3)10-14(17)19/h7-9H,4-6,10H2,1-3H3,(H2,17,19)
InChIKeySXGCCWPOJSYIPX-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.67
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-1-(3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide

N-(2-amino-2-oxoethyl)-1-(3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide (PubChem CID 56818102) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-1-(3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-1-(3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide
PubChem CID56818102
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(2-amino-2-oxoethyl)-1-(3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide
SMILESCc1cc(C)cc(C2(C(=O)N(C)CC(N)=O)CCC2)c1
InChIInChI=1S/C16H22N2O2/c1-11-7-12(2)9-13(8-11)16(5-4-6-16)15(20)18(3)10-14(17)19/h7-9H,4-6,10H2,1-3H3,(H2,17,19)
InChIKeySXGCCWPOJSYIPX-UHFFFAOYSA-N
XLogP1.67
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-1-(3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-1-(3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide (CID 56818102) is N-(2-amino-2-oxoethyl)-1-(3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-1-(3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-1-(3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide is Cc1cc(C)cc(C2(C(=O)N(C)CC(N)=O)CCC2)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-1-(3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide?
The InChIKey is SXGCCWPOJSYIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-7-12(2)9-13(8-11)16(5-4-6-16)15(20)18(3)10-14(17)19/h7-9H,4-6,10H2,1-3H3,(H2,17,19).
What are the key properties of N-(2-amino-2-oxoethyl)-1-(3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide?
N-(2-amino-2-oxoethyl)-1-(3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-1-(3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 56818102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).