N-[2-[1-(ethylamino)ethyl]phenyl]-5-methyloxolane-2-carboxamide

C16H24N2O2 — CID 81329901

IUPACN-[2-[1-(ethylamino)ethyl]phenyl]-5-methyloxolane-2-carboxamide
SMILESCCNC(C)c1ccccc1NC(=O)C1CCC(C)O1
InChIInChI=1S/C16H24N2O2/c1-4-17-12(3)13-7-5-6-8-14(13)18-16(19)15-10-9-11(2)20-15/h5-8,11-12,15,17H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyGDDHQJNZBAYQBM-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.86
Rot. Bonds5

About N-[2-[1-(ethylamino)ethyl]phenyl]-5-methyloxolane-2-carboxamide

N-[2-[1-(ethylamino)ethyl]phenyl]-5-methyloxolane-2-carboxamide (PubChem CID 81329901) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-[1-(ethylamino)ethyl]phenyl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(ethylamino)ethyl]phenyl]-5-methyloxolane-2-carboxamide
PubChem CID81329901
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-[1-(ethylamino)ethyl]phenyl]-5-methyloxolane-2-carboxamide
SMILESCCNC(C)c1ccccc1NC(=O)C1CCC(C)O1
InChIInChI=1S/C16H24N2O2/c1-4-17-12(3)13-7-5-6-8-14(13)18-16(19)15-10-9-11(2)20-15/h5-8,11-12,15,17H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyGDDHQJNZBAYQBM-UHFFFAOYSA-N
XLogP2.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(ethylamino)ethyl]phenyl]cyclohexanecarboxamide
CID 43508004
N-[2-[1-(ethylamino)ethyl]phenyl]oxolane-3-carboxamide
CID 61272378
1-cyclobutyl-3-[2-[1-(ethylamino)ethyl]phenyl]urea
CID 116658189
5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide
CID 81316838
N-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide
CID 43508002
3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea
CID 79154848
5-methyl-N-(2-methyl-3-sulfamoylphenyl)oxolane-2-carboxamide
CID 80973976
N-[2-[1-(ethylamino)ethyl]phenyl]azepane-1-carboxamide
CID 79157491
N-(2-bromo-3-chlorophenyl)-5-methyloxolane-2-carboxamide
CID 103479768
N-[2-[1-(ethylamino)ethyl]phenyl]-1-methylcyclohexane-1-carboxamide
CID 106826466
2-cyclopropyl-N-[2-[1-(propylamino)ethyl]phenyl]acetamide
CID 55031756
N-[2-[1-(propylamino)ethyl]phenyl]oxane-3-carboxamide
CID 63010645

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(ethylamino)ethyl]phenyl]-5-methyloxolane-2-carboxamide?
The IUPAC name of N-[2-[1-(ethylamino)ethyl]phenyl]-5-methyloxolane-2-carboxamide (CID 81329901) is N-[2-[1-(ethylamino)ethyl]phenyl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[2-[1-(ethylamino)ethyl]phenyl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-[2-[1-(ethylamino)ethyl]phenyl]-5-methyloxolane-2-carboxamide is CCNC(C)c1ccccc1NC(=O)C1CCC(C)O1.
What is the InChIKey of N-[2-[1-(ethylamino)ethyl]phenyl]-5-methyloxolane-2-carboxamide?
The InChIKey is GDDHQJNZBAYQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-17-12(3)13-7-5-6-8-14(13)18-16(19)15-10-9-11(2)20-15/h5-8,11-12,15,17H,4,9-10H2,1-3H3,(H,18,19).
What are the key properties of N-[2-[1-(ethylamino)ethyl]phenyl]-5-methyloxolane-2-carboxamide?
N-[2-[1-(ethylamino)ethyl]phenyl]-5-methyloxolane-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(ethylamino)ethyl]phenyl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 81329901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).