N-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide

C14H20N2O2 — CID 79760131

IUPACN-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-10-12(7-8-18-10)14(17)16-9-13(15)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,15H2,1H3,(H,16,17)
InChIKeyDQYBOXVVDYIMEC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.23
Rot. Bonds4

About N-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide

N-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide (PubChem CID 79760131) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide
PubChem CID79760131
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-10-12(7-8-18-10)14(17)16-9-13(15)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,15H2,1H3,(H,16,17)
InChIKeyDQYBOXVVDYIMEC-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-phenylethyl)-2-methylcyclopentane-1-carboxamide
CID 107180698
2-methyl-N-phenyloxolane-3-carboxamide
CID 79758849
N-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide
CID 129071865
methyl 2-iodo-3-[(2-methyloxolane-3-carbonyl)amino]propanoate
CID 103493206
N-(2-amino-2-phenylethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81478648
(2S)-2-[(2-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid
CID 79750162
N-(2-amino-2-phenylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 55177352
2-[2-[(2-methyloxolane-3-carbonyl)amino]ethyl]benzoic acid
CID 79758021
2-[(2-methyloxolane-3-carbonyl)amino]acetic acid
CID 79750229
2-[[(2-methyloxolane-3-carbonyl)amino]methyl]pentanoic acid
CID 79758556
N-ethyl-2-methyloxolane-3-carboxamide
CID 79758522
N-(2-amino-2-phenylethyl)-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride
CID 119041543

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide (CID 79760131) is N-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)NCC(N)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide?
The InChIKey is DQYBOXVVDYIMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-12(7-8-18-10)14(17)16-9-13(15)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide?
N-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 79760131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).