N-[3-(4-tert-butylphenoxy)propyl]pyrrolidine-1-carboxamide

C18H28N2O2 — CID 108882798

IUPACN-[3-(4-tert-butylphenoxy)propyl]pyrrolidine-1-carboxamide
SMILESCC(C)(C)c1ccc(OCCCNC(=O)N2CCCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)15-7-9-16(10-8-15)22-14-6-11-19-17(21)20-12-4-5-13-20/h7-10H,4-6,11-14H2,1-3H3,(H,19,21)
InChIKeyUNPIUWASCTXUIM-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.56
Rot. Bonds5

About N-[3-(4-tert-butylphenoxy)propyl]pyrrolidine-1-carboxamide

N-[3-(4-tert-butylphenoxy)propyl]pyrrolidine-1-carboxamide (PubChem CID 108882798) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[3-(4-tert-butylphenoxy)propyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-tert-butylphenoxy)propyl]pyrrolidine-1-carboxamide
PubChem CID108882798
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[3-(4-tert-butylphenoxy)propyl]pyrrolidine-1-carboxamide
SMILESCC(C)(C)c1ccc(OCCCNC(=O)N2CCCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)15-7-9-16(10-8-15)22-14-6-11-19-17(21)20-12-4-5-13-20/h7-10H,4-6,11-14H2,1-3H3,(H,19,21)
InChIKeyUNPIUWASCTXUIM-UHFFFAOYSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide
CID 108881332
N-[2-(4-methylphenoxy)ethyl]azepane-1-carboxamide
CID 112970074
4-(4-tert-butylphenoxy)-1-piperidin-1-ylbutan-1-one
CID 19173677
N-[2-(4-propan-2-ylphenoxy)ethyl]azepane-1-carboxamide
CID 112972579
4-(1,3-benzodioxol-5-ylmethyl)-N-[3-(4-tert-butylphenoxy)propyl]piperazine-1-carboxamide
CID 108882957
methyl 4-[3-(4-methylphenoxy)propylcarbamoyl]piperazine-1-carboxylate
CID 108881529
1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea
CID 108882801
1-butyl-3-[3-(4-tert-butylphenoxy)propyl]urea
CID 108882694
N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide
CID 94868061
1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide
CID 56798865
1-[3-(4-tert-butylphenoxy)propyl]-3-cyclopropylurea
CID 108882913
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylphenoxy)propyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-(4-tert-butylphenoxy)propyl]pyrrolidine-1-carboxamide (CID 108882798) is N-[3-(4-tert-butylphenoxy)propyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-(4-tert-butylphenoxy)propyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-(4-tert-butylphenoxy)propyl]pyrrolidine-1-carboxamide is CC(C)(C)c1ccc(OCCCNC(=O)N2CCCC2)cc1.
What is the InChIKey of N-[3-(4-tert-butylphenoxy)propyl]pyrrolidine-1-carboxamide?
The InChIKey is UNPIUWASCTXUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2,3)15-7-9-16(10-8-15)22-14-6-11-19-17(21)20-12-4-5-13-20/h7-10H,4-6,11-14H2,1-3H3,(H,19,21).
What are the key properties of N-[3-(4-tert-butylphenoxy)propyl]pyrrolidine-1-carboxamide?
N-[3-(4-tert-butylphenoxy)propyl]pyrrolidine-1-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-tert-butylphenoxy)propyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 108882798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).