N-(2-aminophenyl)-N-propyloxolane-2-carboxamide

C14H20N2O2 — CID 63230184

IUPACN-(2-aminophenyl)-N-propyloxolane-2-carboxamide
SMILESCCCN(C(=O)C1CCCO1)c1ccccc1N
InChIInChI=1S/C14H20N2O2/c1-2-9-16(12-7-4-3-6-11(12)15)14(17)13-8-5-10-18-13/h3-4,6-7,13H,2,5,8-10,15H2,1H3
InChIKeyBGVWPDSBBWOPJL-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.19
Rot. Bonds4

About N-(2-aminophenyl)-N-propyloxolane-2-carboxamide

N-(2-aminophenyl)-N-propyloxolane-2-carboxamide (PubChem CID 63230184) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-propyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-propyloxolane-2-carboxamide
PubChem CID63230184
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2-aminophenyl)-N-propyloxolane-2-carboxamide
SMILESCCCN(C(=O)C1CCCO1)c1ccccc1N
InChIInChI=1S/C14H20N2O2/c1-2-9-16(12-7-4-3-6-11(12)15)14(17)13-8-5-10-18-13/h3-4,6-7,13H,2,5,8-10,15H2,1H3
InChIKeyBGVWPDSBBWOPJL-UHFFFAOYSA-N
XLogP2.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-propyloxolane-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-N-propyloxolane-2-carboxamide (CID 63230184) is N-(2-aminophenyl)-N-propyloxolane-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-N-propyloxolane-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-N-propyloxolane-2-carboxamide is CCCN(C(=O)C1CCCO1)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-N-propyloxolane-2-carboxamide?
The InChIKey is BGVWPDSBBWOPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-9-16(12-7-4-3-6-11(12)15)14(17)13-8-5-10-18-13/h3-4,6-7,13H,2,5,8-10,15H2,1H3.
What are the key properties of N-(2-aminophenyl)-N-propyloxolane-2-carboxamide?
N-(2-aminophenyl)-N-propyloxolane-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-propyloxolane-2-carboxamide is sourced from PubChem (CID 63230184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).