N-[2-(1-aminoethyl)phenyl]-2,4,5-trimethyloxolane-3-carboxamide

C16H24N2O2 — CID 65156905

IUPACN-[2-(1-aminoethyl)phenyl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC(N)c1ccccc1NC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C16H24N2O2/c1-9-11(3)20-12(4)15(9)16(19)18-14-8-6-5-7-13(14)10(2)17/h5-12,15H,17H2,1-4H3,(H,18,19)
InChIKeyCCMZELHXWXOOEQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.70
Rot. Bonds3

About N-[2-(1-aminoethyl)phenyl]-2,4,5-trimethyloxolane-3-carboxamide

N-[2-(1-aminoethyl)phenyl]-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65156905) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(1-aminoethyl)phenyl]-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-aminoethyl)phenyl]-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65156905
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-(1-aminoethyl)phenyl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC(N)c1ccccc1NC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C16H24N2O2/c1-9-11(3)20-12(4)15(9)16(19)18-14-8-6-5-7-13(14)10(2)17/h5-12,15H,17H2,1-4H3,(H,18,19)
InChIKeyCCMZELHXWXOOEQ-UHFFFAOYSA-N
XLogP2.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107000562
2-methyl-6-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid
CID 65157289
N-(2-carbamothioyl-3-fluorophenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65156416
N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107176029
N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107176027
N-(4-bromo-2-carbamothioylphenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 82693983
N-(2-carbamothioyl-5-chlorophenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65155869
N-[2-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79757811
N-(4-amino-5-chloro-2-methylphenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 104667369
3-fluoro-4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid
CID 65157238
3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid
CID 65157123
1-[2-(1-aminoethyl)phenyl]-3-(4-methylphenyl)urea
CID 43437759

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminoethyl)phenyl]-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-[2-(1-aminoethyl)phenyl]-2,4,5-trimethyloxolane-3-carboxamide (CID 65156905) is N-[2-(1-aminoethyl)phenyl]-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-[2-(1-aminoethyl)phenyl]-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-[2-(1-aminoethyl)phenyl]-2,4,5-trimethyloxolane-3-carboxamide is CC(N)c1ccccc1NC(=O)C1C(C)OC(C)C1C.
What is the InChIKey of N-[2-(1-aminoethyl)phenyl]-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is CCMZELHXWXOOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-9-11(3)20-12(4)15(9)16(19)18-14-8-6-5-7-13(14)10(2)17/h5-12,15H,17H2,1-4H3,(H,18,19).
What are the key properties of N-[2-(1-aminoethyl)phenyl]-2,4,5-trimethyloxolane-3-carboxamide?
N-[2-(1-aminoethyl)phenyl]-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminoethyl)phenyl]-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65156905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).