3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyloxolane-3-carboxamide

C16H24N2O3 — CID 64892140

IUPAC3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyloxolane-3-carboxamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)C2(N)CCOC2)c1
InChIInChI=1S/C16H24N2O3/c1-12-8-13(2)10-14(9-12)21-7-5-18(3)15(19)16(17)4-6-20-11-16/h8-10H,4-7,11,17H2,1-3H3
InChIKeyZVPOOFBFNZFDTK-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.26
Rot. Bonds5

About 3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyloxolane-3-carboxamide

3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyloxolane-3-carboxamide (PubChem CID 64892140) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyloxolane-3-carboxamide
PubChem CID64892140
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyloxolane-3-carboxamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)C2(N)CCOC2)c1
InChIInChI=1S/C16H24N2O3/c1-12-8-13(2)10-14(9-12)21-7-5-18(3)15(19)16(17)4-6-20-11-16/h8-10H,4-7,11,17H2,1-3H3
InChIKeyZVPOOFBFNZFDTK-UHFFFAOYSA-N
XLogP1.26
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63139967
1-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81173078
2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide
CID 54869826
3-amino-N-methyl-N-(2-methylsulfonylethyl)oxolane-3-carboxamide
CID 79858879
1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464033
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]oxolane-3-carboxamide
CID 64891819
1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60937922
3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64893376
1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464035
3-amino-N-(2-hydroxy-2-methylpropyl)-N-methyloxolane-3-carboxamide
CID 79378741
N-[2-(3,5-dimethylphenoxy)ethyl]-2,2-difluoro-N-methylacetamide
CID 113219438
3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,2,2-trimethylpropanamide
CID 81489998

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyloxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyloxolane-3-carboxamide (CID 64892140) is 3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyloxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyloxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyloxolane-3-carboxamide is Cc1cc(C)cc(OCCN(C)C(=O)C2(N)CCOC2)c1.
What is the InChIKey of 3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyloxolane-3-carboxamide?
The InChIKey is ZVPOOFBFNZFDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-8-13(2)10-14(9-12)21-7-5-18(3)15(19)16(17)4-6-20-11-16/h8-10H,4-7,11,17H2,1-3H3.
What are the key properties of 3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyloxolane-3-carboxamide?
3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyloxolane-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 64892140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).