N-[1-(4-tert-butylphenyl)-2-methylpropyl]azetidine-1-carboxamide

C18H28N2O — CID 71900527

IUPACN-[1-(4-tert-butylphenyl)-2-methylpropyl]azetidine-1-carboxamide
SMILESCC(C)C(NC(=O)N1CCC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-13(2)16(19-17(21)20-11-6-12-20)14-7-9-15(10-8-14)18(3,4)5/h7-10,13,16H,6,11-12H2,1-5H3,(H,19,21)
InChIKeyXLZYYZDVYYHQAS-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.10
Rot. Bonds3

About N-[1-(4-tert-butylphenyl)-2-methylpropyl]azetidine-1-carboxamide

N-[1-(4-tert-butylphenyl)-2-methylpropyl]azetidine-1-carboxamide (PubChem CID 71900527) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)-2-methylpropyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)-2-methylpropyl]azetidine-1-carboxamide
PubChem CID71900527
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[1-(4-tert-butylphenyl)-2-methylpropyl]azetidine-1-carboxamide
SMILESCC(C)C(NC(=O)N1CCC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-13(2)16(19-17(21)20-11-6-12-20)14-7-9-15(10-8-14)18(3,4)5/h7-10,13,16H,6,11-12H2,1-5H3,(H,19,21)
InChIKeyXLZYYZDVYYHQAS-UHFFFAOYSA-N
XLogP4.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide
CID 30906945
4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 113076586
4-N-[1-(4-tert-butylphenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55647270
N-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide
CID 9115909
N-[(1S)-2-methyl-1-phenylpropyl]morpholine-4-carboxamide
CID 34672149
4-[2-(tert-butylamino)-2-oxoethyl]-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]piperazine-1-carboxamide
CID 51929849
3-(hydroxymethyl)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-1-carboxamide
CID 122150335
N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide
CID 125442514
N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901455
N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 115578693
N-propan-2-ylazetidine-1-carboxamide
CID 126972093
N-[1-(4-tert-butylphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60543582

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)-2-methylpropyl]azetidine-1-carboxamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)-2-methylpropyl]azetidine-1-carboxamide (CID 71900527) is N-[1-(4-tert-butylphenyl)-2-methylpropyl]azetidine-1-carboxamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)-2-methylpropyl]azetidine-1-carboxamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)-2-methylpropyl]azetidine-1-carboxamide is CC(C)C(NC(=O)N1CCC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)-2-methylpropyl]azetidine-1-carboxamide?
The InChIKey is XLZYYZDVYYHQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)16(19-17(21)20-11-6-12-20)14-7-9-15(10-8-14)18(3,4)5/h7-10,13,16H,6,11-12H2,1-5H3,(H,19,21).
What are the key properties of N-[1-(4-tert-butylphenyl)-2-methylpropyl]azetidine-1-carboxamide?
N-[1-(4-tert-butylphenyl)-2-methylpropyl]azetidine-1-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)-2-methylpropyl]azetidine-1-carboxamide is sourced from PubChem (CID 71900527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).