N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide

C16H24N2O2 — CID 106910686

IUPACN-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide
SMILESCCCNCc1cccc(NC(=O)C2CCOCC2)c1
InChIInChI=1S/C16H24N2O2/c1-2-8-17-12-13-4-3-5-15(11-13)18-16(19)14-6-9-20-10-7-14/h3-5,11,14,17H,2,6-10,12H2,1H3,(H,18,19)
InChIKeyZGJZISHLLOYSGU-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.55
Rot. Bonds6

About N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide

N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide (PubChem CID 106910686) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide
PubChem CID106910686
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide
SMILESCCCNCc1cccc(NC(=O)C2CCOCC2)c1
InChIInChI=1S/C16H24N2O2/c1-2-8-17-12-13-4-3-5-15(11-13)18-16(19)14-6-9-20-10-7-14/h3-5,11,14,17H,2,6-10,12H2,1H3,(H,18,19)
InChIKeyZGJZISHLLOYSGU-UHFFFAOYSA-N
XLogP2.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.55
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-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide
CID 43601115
2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]acetamide
CID 106910721
N-[3-(bromomethyl)phenyl]oxolane-3-carboxamide
CID 114307353
N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride
CID 119438632
2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide
CID 106910711
N-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 119438350
N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide
CID 39190126
N-[3-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide
CID 51337572
4-methyl-N-[3-(propylaminomethyl)phenyl]piperidine-1-carboxamide
CID 106911651
N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide
CID 114293301
N-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47371741
N-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide
CID 31973447

Frequently Asked Questions

What is the IUPAC name of N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide?
The IUPAC name of N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide (CID 106910686) is N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide is CCCNCc1cccc(NC(=O)C2CCOCC2)c1.
What is the InChIKey of N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide?
The InChIKey is ZGJZISHLLOYSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-8-17-12-13-4-3-5-15(11-13)18-16(19)14-6-9-20-10-7-14/h3-5,11,14,17H,2,6-10,12H2,1H3,(H,18,19).
What are the key properties of N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide?
N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 106910686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).