N-[2-(4-aminophenyl)ethyl]-5-methyloxolane-2-carboxamide

C14H20N2O2 — CID 81325244

IUPACN-[2-(4-aminophenyl)ethyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NCCc2ccc(N)cc2)O1
InChIInChI=1S/C14H20N2O2/c1-10-2-7-13(18-10)14(17)16-9-8-11-3-5-12(15)6-4-11/h3-6,10,13H,2,7-9,15H2,1H3,(H,16,17)
InChIKeyYEEIUJIYZQAYSY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.50
Rot. Bonds4

About N-[2-(4-aminophenyl)ethyl]-5-methyloxolane-2-carboxamide

N-[2-(4-aminophenyl)ethyl]-5-methyloxolane-2-carboxamide (PubChem CID 81325244) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-5-methyloxolane-2-carboxamide
PubChem CID81325244
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[2-(4-aminophenyl)ethyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NCCc2ccc(N)cc2)O1
InChIInChI=1S/C14H20N2O2/c1-10-2-7-13(18-10)14(17)16-9-8-11-3-5-12(15)6-4-11/h3-6,10,13H,2,7-9,15H2,1H3,(H,16,17)
InChIKeyYEEIUJIYZQAYSY-UHFFFAOYSA-N
XLogP1.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-[[(2S,5S)-5-methyloxolane-2-carbonyl]amino]ethyl]benzoic acid
CID 124591584
N-[(5-amino-2-hydroxyphenyl)methyl]-5-methyloxolane-2-carboxamide
CID 81325159
N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride
CID 119260663
N-[2-(4-aminophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 81479001
(2S,5R)-5-(aminomethyl)-N-[2-(4-chlorophenyl)ethyl]oxolane-2-carboxamide
CID 120783060
N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide
CID 113265633
5-methyl-N-(2-piperidin-2-ylethyl)oxolane-2-carboxamide
CID 81330711
(2S,5R)-5-(aminomethyl)-N-[2-(3,5-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 120794626
5-methyl-N-(1H-pyrrol-3-ylmethyl)oxolane-2-carboxamide
CID 106385224
N-[4-(bromomethyl)phenyl]-5-methyloxolane-2-carboxamide
CID 114310972
N-(4-amino-2-fluorophenyl)-5-methyloxolane-2-carboxamide
CID 81324107
N-[2-(4-aminophenyl)ethyl]-1,1-dioxothiane-2-carboxamide
CID 104517302

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-5-methyloxolane-2-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-5-methyloxolane-2-carboxamide (CID 81325244) is N-[2-(4-aminophenyl)ethyl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)NCCc2ccc(N)cc2)O1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-5-methyloxolane-2-carboxamide?
The InChIKey is YEEIUJIYZQAYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-2-7-13(18-10)14(17)16-9-8-11-3-5-12(15)6-4-11/h3-6,10,13H,2,7-9,15H2,1H3,(H,16,17).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-5-methyloxolane-2-carboxamide?
N-[2-(4-aminophenyl)ethyl]-5-methyloxolane-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 81325244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).