tert-butylbenzene;N-[3-(3-methylpyrrolidine-1-carbonyl)cyclobutyl]propanamide

C23H36N2O2 — CID 167469749

IUPACtert-butylbenzene;N-[3-(3-methylpyrrolidine-1-carbonyl)cyclobutyl]propanamide
SMILESCC(C)(C)c1ccccc1.CCC(=O)NC1CC(C(=O)N2CCC(C)C2)C1
InChIInChI=1S/C13H22N2O2.C10H14/c1-3-12(16)14-11-6-10(7-11)13(17)15-5-4-9(2)8-15;1-10(2,3)9-7-5-4-6-8-9/h9-11H,3-8H2,1-2H3,(H,14,16);4-8H,1-3H3
InChIKeyOMRWWKIJSPEHCV-UHFFFAOYSA-N
MW372.55 g/mol
LogP4.14
Rot. Bonds3

About tert-butylbenzene;N-[3-(3-methylpyrrolidine-1-carbonyl)cyclobutyl]propanamide

tert-butylbenzene;N-[3-(3-methylpyrrolidine-1-carbonyl)cyclobutyl]propanamide (PubChem CID 167469749) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is tert-butylbenzene;N-[3-(3-methylpyrrolidine-1-carbonyl)cyclobutyl]propanamide.

Molecular Properties

Compound Nametert-butylbenzene;N-[3-(3-methylpyrrolidine-1-carbonyl)cyclobutyl]propanamide
PubChem CID167469749
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Nametert-butylbenzene;N-[3-(3-methylpyrrolidine-1-carbonyl)cyclobutyl]propanamide
SMILESCC(C)(C)c1ccccc1.CCC(=O)NC1CC(C(=O)N2CCC(C)C2)C1
InChIInChI=1S/C13H22N2O2.C10H14/c1-3-12(16)14-11-6-10(7-11)13(17)15-5-4-9(2)8-15;1-10(2,3)9-7-5-4-6-8-9/h9-11H,3-8H2,1-2H3,(H,14,16);4-8H,1-3H3
InChIKeyOMRWWKIJSPEHCV-UHFFFAOYSA-N
XLogP4.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanamide
CID 110871450
tert-butylbenzene;methyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate
CID 156864323
N-[3-[4-(3-tert-butyl-4-fluorophenyl)piperidine-1-carbonyl]cyclobutyl]propanamide
CID 156864422
N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 110820721
N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147914
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide
CID 108556090
methyl N-[3-[4-(3-tert-butylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate
CID 156864304
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide
CID 110025007
N-[(3R)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]propanamide
CID 100707416
N-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]propanamide
CID 61163953
2-anilino-N-(3-methylcyclohexyl)acetamide;hydrochloride
CID 119716294
N-(1-amino-2-phenylpropan-2-yl)-3-methylpiperidine-1-carboxamide
CID 105060539

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;N-[3-(3-methylpyrrolidine-1-carbonyl)cyclobutyl]propanamide?
The IUPAC name of tert-butylbenzene;N-[3-(3-methylpyrrolidine-1-carbonyl)cyclobutyl]propanamide (CID 167469749) is tert-butylbenzene;N-[3-(3-methylpyrrolidine-1-carbonyl)cyclobutyl]propanamide.
What is the SMILES notation for tert-butylbenzene;N-[3-(3-methylpyrrolidine-1-carbonyl)cyclobutyl]propanamide?
The canonical SMILES for tert-butylbenzene;N-[3-(3-methylpyrrolidine-1-carbonyl)cyclobutyl]propanamide is CC(C)(C)c1ccccc1.CCC(=O)NC1CC(C(=O)N2CCC(C)C2)C1.
What is the InChIKey of tert-butylbenzene;N-[3-(3-methylpyrrolidine-1-carbonyl)cyclobutyl]propanamide?
The InChIKey is OMRWWKIJSPEHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2.C10H14/c1-3-12(16)14-11-6-10(7-11)13(17)15-5-4-9(2)8-15;1-10(2,3)9-7-5-4-6-8-9/h9-11H,3-8H2,1-2H3,(H,14,16);4-8H,1-3H3.
What are the key properties of tert-butylbenzene;N-[3-(3-methylpyrrolidine-1-carbonyl)cyclobutyl]propanamide?
tert-butylbenzene;N-[3-(3-methylpyrrolidine-1-carbonyl)cyclobutyl]propanamide has a molecular weight of 372.55 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;N-[3-(3-methylpyrrolidine-1-carbonyl)cyclobutyl]propanamide is sourced from PubChem (CID 167469749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).