2,2-dimethylpropane;N-ethyl-N-[(4-methylphenyl)methyl]cyclobutanecarboxamide;toluene

C27H41NO — CID 145373799

IUPAC2,2-dimethylpropane;N-ethyl-N-[(4-methylphenyl)methyl]cyclobutanecarboxamide;toluene
SMILESCC(C)(C)C.CCN(Cc1ccc(C)cc1)C(=O)C1CCC1.Cc1ccccc1
InChIInChI=1S/C15H21NO.C7H8.C5H12/c1-3-16(15(17)14-5-4-6-14)11-13-9-7-12(2)8-10-13;1-7-5-3-2-4-6-7;1-5(2,3)4/h7-10,14H,3-6,11H2,1-2H3;2-6H,1H3;1-4H3
InChIKeyWJICCYNBEFIJHJ-UHFFFAOYSA-N
MW395.63 g/mol
LogP7.19
Rot. Bonds4

About 2,2-dimethylpropane;N-ethyl-N-[(4-methylphenyl)methyl]cyclobutanecarboxamide;toluene

2,2-dimethylpropane;N-ethyl-N-[(4-methylphenyl)methyl]cyclobutanecarboxamide;toluene (PubChem CID 145373799) has the molecular formula C27H41NO and a molecular weight of 395.63 g/mol. Its IUPAC name is 2,2-dimethylpropane;N-ethyl-N-[(4-methylphenyl)methyl]cyclobutanecarboxamide;toluene.

Molecular Properties

Compound Name2,2-dimethylpropane;N-ethyl-N-[(4-methylphenyl)methyl]cyclobutanecarboxamide;toluene
PubChem CID145373799
Molecular FormulaC27H41NO
Molecular Weight395.63 g/mol
Exact Mass395.32
IUPAC Name2,2-dimethylpropane;N-ethyl-N-[(4-methylphenyl)methyl]cyclobutanecarboxamide;toluene
SMILESCC(C)(C)C.CCN(Cc1ccc(C)cc1)C(=O)C1CCC1.Cc1ccccc1
InChIInChI=1S/C15H21NO.C7H8.C5H12/c1-3-16(15(17)14-5-4-6-14)11-13-9-7-12(2)8-10-13;1-7-5-3-2-4-6-7;1-5(2,3)4/h7-10,14H,3-6,11H2,1-2H3;2-6H,1H3;1-4H3
InChIKeyWJICCYNBEFIJHJ-UHFFFAOYSA-N
XLogP7.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.63
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide
CID 91410350
1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109148640
N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 78811308
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983152
N-benzyl-1-[[4-[[3-[benzyl(ethyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-ethylpiperidine-3-carboxamide;hydrobromide
CID 67856003
N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004413
N-benzyl-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344215
N-benzyl-1-[(2-chlorophenyl)methyl]-N-ethylpiperidin-1-ium-4-carboxamide
CID 7334890
methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate
CID 110754107

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;N-ethyl-N-[(4-methylphenyl)methyl]cyclobutanecarboxamide;toluene?
The IUPAC name of 2,2-dimethylpropane;N-ethyl-N-[(4-methylphenyl)methyl]cyclobutanecarboxamide;toluene (CID 145373799) is 2,2-dimethylpropane;N-ethyl-N-[(4-methylphenyl)methyl]cyclobutanecarboxamide;toluene.
What is the SMILES notation for 2,2-dimethylpropane;N-ethyl-N-[(4-methylphenyl)methyl]cyclobutanecarboxamide;toluene?
The canonical SMILES for 2,2-dimethylpropane;N-ethyl-N-[(4-methylphenyl)methyl]cyclobutanecarboxamide;toluene is CC(C)(C)C.CCN(Cc1ccc(C)cc1)C(=O)C1CCC1.Cc1ccccc1.
What is the InChIKey of 2,2-dimethylpropane;N-ethyl-N-[(4-methylphenyl)methyl]cyclobutanecarboxamide;toluene?
The InChIKey is WJICCYNBEFIJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.C7H8.C5H12/c1-3-16(15(17)14-5-4-6-14)11-13-9-7-12(2)8-10-13;1-7-5-3-2-4-6-7;1-5(2,3)4/h7-10,14H,3-6,11H2,1-2H3;2-6H,1H3;1-4H3.
What are the key properties of 2,2-dimethylpropane;N-ethyl-N-[(4-methylphenyl)methyl]cyclobutanecarboxamide;toluene?
2,2-dimethylpropane;N-ethyl-N-[(4-methylphenyl)methyl]cyclobutanecarboxamide;toluene has a molecular weight of 395.63 g/mol, XLogP of 7.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;N-ethyl-N-[(4-methylphenyl)methyl]cyclobutanecarboxamide;toluene is sourced from PubChem (CID 145373799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).