N-[4-(4-aminobutyl)phenyl]oxolane-2-carboxamide

C15H22N2O2 — CID 82260089

IUPACN-[4-(4-aminobutyl)phenyl]oxolane-2-carboxamide
SMILESNCCCCc1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C15H22N2O2/c16-10-2-1-4-12-6-8-13(9-7-12)17-15(18)14-5-3-11-19-14/h6-9,14H,1-5,10-11,16H2,(H,17,18)
InChIKeyAGEMGXPKKLFESQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.09
Rot. Bonds6

About N-[4-(4-aminobutyl)phenyl]oxolane-2-carboxamide

N-[4-(4-aminobutyl)phenyl]oxolane-2-carboxamide (PubChem CID 82260089) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[4-(4-aminobutyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-aminobutyl)phenyl]oxolane-2-carboxamide
PubChem CID82260089
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[4-(4-aminobutyl)phenyl]oxolane-2-carboxamide
SMILESNCCCCc1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C15H22N2O2/c16-10-2-1-4-12-6-8-13(9-7-12)17-15(18)14-5-3-11-19-14/h6-9,14H,1-5,10-11,16H2,(H,17,18)
InChIKeyAGEMGXPKKLFESQ-UHFFFAOYSA-N
XLogP2.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(aminomethyl)phenyl]oxane-2-carboxamide
CID 62214191
N-[4-(2-hydroxyethyl)phenyl]oxane-2-carboxamide
CID 62212827
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850
3-[4-(oxane-2-carbonylamino)phenyl]propanoic acid
CID 115339436
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide
CID 131950649
N-phenyloxolane-2-carboxamide
CID 3453643
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]oxane-2-carboxamide
CID 62301919
N-[4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide
CID 82260254
N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]oxolane-2-carboxamide
CID 110353088
N-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide
CID 106910070
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminobutyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(4-aminobutyl)phenyl]oxolane-2-carboxamide (CID 82260089) is N-[4-(4-aminobutyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(4-aminobutyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(4-aminobutyl)phenyl]oxolane-2-carboxamide is NCCCCc1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[4-(4-aminobutyl)phenyl]oxolane-2-carboxamide?
The InChIKey is AGEMGXPKKLFESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-10-2-1-4-12-6-8-13(9-7-12)17-15(18)14-5-3-11-19-14/h6-9,14H,1-5,10-11,16H2,(H,17,18).
What are the key properties of N-[4-(4-aminobutyl)phenyl]oxolane-2-carboxamide?
N-[4-(4-aminobutyl)phenyl]oxolane-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminobutyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 82260089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).