5-methyl-N-[4-(propylaminomethyl)phenyl]oxolane-2-carboxamide

C16H24N2O2 — CID 106910354

IUPAC5-methyl-N-[4-(propylaminomethyl)phenyl]oxolane-2-carboxamide
SMILESCCCNCc1ccc(NC(=O)C2CCC(C)O2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-10-17-11-13-5-7-14(8-6-13)18-16(19)15-9-4-12(2)20-15/h5-8,12,15,17H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyKKPWDQKVGRECOI-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.69
Rot. Bonds6

About 5-methyl-N-[4-(propylaminomethyl)phenyl]oxolane-2-carboxamide

5-methyl-N-[4-(propylaminomethyl)phenyl]oxolane-2-carboxamide (PubChem CID 106910354) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-methyl-N-[4-(propylaminomethyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(propylaminomethyl)phenyl]oxolane-2-carboxamide
PubChem CID106910354
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5-methyl-N-[4-(propylaminomethyl)phenyl]oxolane-2-carboxamide
SMILESCCCNCc1ccc(NC(=O)C2CCC(C)O2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-10-17-11-13-5-7-14(8-6-13)18-16(19)15-9-4-12(2)20-15/h5-8,12,15,17H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyKKPWDQKVGRECOI-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
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-(bromomethyl)phenyl]-5-methyloxolane-2-carboxamide
CID 114310972
N-(4-bromophenyl)-5-methyloxolane-2-carboxamide
CID 80949197
1,1-dioxo-N-[4-(propylaminomethyl)phenyl]thiolane-3-carboxamide
CID 106910300
5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide
CID 81316838
(2R,5R)-N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166159129
N-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide
CID 106910070
3,3-dimethyl-N-[4-(propylaminomethyl)phenyl]butanamide
CID 106910360
N-(6-amino-3-pyridinyl)-5-methyloxolane-2-carboxamide
CID 81331226
5-methyl-N-[2-(methylaminomethyl)-4-pyridinyl]oxolane-2-carboxamide
CID 166160576
5-methyl-N-[4-(propylaminomethyl)phenyl]furan-2-carboxamide
CID 106910296
N-(3-hydroxyphenyl)-5-methyloxolane-2-carboxamide
CID 81330062
N-[4-(propylaminomethyl)phenyl]morpholine-4-carboxamide
CID 106911473

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(propylaminomethyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-(propylaminomethyl)phenyl]oxolane-2-carboxamide (CID 106910354) is 5-methyl-N-[4-(propylaminomethyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(propylaminomethyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(propylaminomethyl)phenyl]oxolane-2-carboxamide is CCCNCc1ccc(NC(=O)C2CCC(C)O2)cc1.
What is the InChIKey of 5-methyl-N-[4-(propylaminomethyl)phenyl]oxolane-2-carboxamide?
The InChIKey is KKPWDQKVGRECOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-10-17-11-13-5-7-14(8-6-13)18-16(19)15-9-4-12(2)20-15/h5-8,12,15,17H,3-4,9-11H2,1-2H3,(H,18,19).
What are the key properties of 5-methyl-N-[4-(propylaminomethyl)phenyl]oxolane-2-carboxamide?
5-methyl-N-[4-(propylaminomethyl)phenyl]oxolane-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(propylaminomethyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 106910354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).