N-[1-(4-butan-2-ylphenyl)propyl]oxolane-2-carboxamide

C18H27NO2 — CID 6464301

IUPACN-[1-(4-butan-2-ylphenyl)propyl]oxolane-2-carboxamide
SMILESCCC(C)c1ccc(C(CC)NC(=O)C2CCCO2)cc1
InChIInChI=1S/C18H27NO2/c1-4-13(3)14-8-10-15(11-9-14)16(5-2)19-18(20)17-7-6-12-21-17/h8-11,13,16-17H,4-7,12H2,1-3H3,(H,19,20)
InChIKeyJLUUSXYQFJQHRS-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.95
Rot. Bonds6

About N-[1-(4-butan-2-ylphenyl)propyl]oxolane-2-carboxamide

N-[1-(4-butan-2-ylphenyl)propyl]oxolane-2-carboxamide (PubChem CID 6464301) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[1-(4-butan-2-ylphenyl)propyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-butan-2-ylphenyl)propyl]oxolane-2-carboxamide
PubChem CID6464301
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[1-(4-butan-2-ylphenyl)propyl]oxolane-2-carboxamide
SMILESCCC(C)c1ccc(C(CC)NC(=O)C2CCCO2)cc1
InChIInChI=1S/C18H27NO2/c1-4-13(3)14-8-10-15(11-9-14)16(5-2)19-18(20)17-7-6-12-21-17/h8-11,13,16-17H,4-7,12H2,1-3H3,(H,19,20)
InChIKeyJLUUSXYQFJQHRS-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
CID 2435628
Cambridge id 6878150
CID 2917394
N-(oxolan-2-ylmethyl)-N'-[(4-propan-2-ylphenyl)methyl]oxamide
CID 4314957
N-(1-phenylpropyl)oxolane-2-carboxamide
CID 6467126
3-phenyl-N-(tetrahydro-2-furanylmethyl)butanamide
CID 2914304
N-[1-(3,4-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 2970814
N-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2883263
N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide
CID 2947967
4-ethyl-N-{3-methyl-1-oxo-1-[(tetrahydrofuran-2-ylmethyl)amino]butan-2-yl}benzamide
CID 2975014
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-methylcyclopropane-1-carboxylate
CID 3290911
N-[1-(4-ethylphenyl)ethyl]tetrahydro-2-furancarboxamide
CID 6464227
N-[1-(2,5-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 6469248

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butan-2-ylphenyl)propyl]oxolane-2-carboxamide?
The IUPAC name of N-[1-(4-butan-2-ylphenyl)propyl]oxolane-2-carboxamide (CID 6464301) is N-[1-(4-butan-2-ylphenyl)propyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-(4-butan-2-ylphenyl)propyl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-(4-butan-2-ylphenyl)propyl]oxolane-2-carboxamide is CCC(C)c1ccc(C(CC)NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[1-(4-butan-2-ylphenyl)propyl]oxolane-2-carboxamide?
The InChIKey is JLUUSXYQFJQHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-13(3)14-8-10-15(11-9-14)16(5-2)19-18(20)17-7-6-12-21-17/h8-11,13,16-17H,4-7,12H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(4-butan-2-ylphenyl)propyl]oxolane-2-carboxamide?
N-[1-(4-butan-2-ylphenyl)propyl]oxolane-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butan-2-ylphenyl)propyl]oxolane-2-carboxamide is sourced from PubChem (CID 6464301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).