N-(3,5-dimethylphenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide

C17H26N2O2 — CID 66256169

IUPACN-(3,5-dimethylphenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)N(C)c1cc(C)cc(C)c1
InChIInChI=1S/C17H26N2O2/c1-5-6-18-16-11-21-10-15(16)17(20)19(4)14-8-12(2)7-13(3)9-14/h7-9,15-16,18H,5-6,10-11H2,1-4H3
InChIKeyUZVHKPWMSPAHMH-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.28
Rot. Bonds5

About N-(3,5-dimethylphenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide

N-(3,5-dimethylphenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66256169) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
PubChem CID66256169
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(3,5-dimethylphenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)N(C)c1cc(C)cc(C)c1
InChIInChI=1S/C17H26N2O2/c1-5-6-18-16-11-21-10-15(16)17(20)19(4)14-8-12(2)7-13(3)9-14/h7-9,15-16,18H,5-6,10-11H2,1-4H3
InChIKeyUZVHKPWMSPAHMH-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide (CID 66256169) is N-(3,5-dimethylphenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)N(C)c1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is UZVHKPWMSPAHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-6-18-16-11-21-10-15(16)17(20)19(4)14-8-12(2)7-13(3)9-14/h7-9,15-16,18H,5-6,10-11H2,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide?
N-(3,5-dimethylphenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66256169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).