5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide

C17H26N2O2 — CID 81316838

IUPAC5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide
SMILESCCCNC(C)c1cccc(NC(=O)C2CCC(C)O2)c1
InChIInChI=1S/C17H26N2O2/c1-4-10-18-13(3)14-6-5-7-15(11-14)19-17(20)16-9-8-12(2)21-16/h5-7,11-13,16,18H,4,8-10H2,1-3H3,(H,19,20)
InChIKeyILMDMRUNBAXENX-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.25
Rot. Bonds6

About 5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide

5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide (PubChem CID 81316838) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide
PubChem CID81316838
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide
SMILESCCCNC(C)c1cccc(NC(=O)C2CCC(C)O2)c1
InChIInChI=1S/C17H26N2O2/c1-4-10-18-13(3)14-6-5-7-15(11-14)19-17(20)16-9-8-12(2)21-16/h5-7,11-13,16,18H,4,8-10H2,1-3H3,(H,19,20)
InChIKeyILMDMRUNBAXENX-UHFFFAOYSA-N
XLogP3.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide
CID 61272203
2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide
CID 65157098
N-(3-hydroxyphenyl)-5-methyloxolane-2-carboxamide
CID 81330062
1-cyclopropyl-1-methyl-3-[3-[1-(propylamino)ethyl]phenyl]urea
CID 61339846
1-(2-methylbutan-2-yl)-3-[3-[1-(propylamino)ethyl]phenyl]urea
CID 61340529
N-[2-[1-(ethylamino)ethyl]phenyl]-5-methyloxolane-2-carboxamide
CID 81329901
5-methyl-N-[4-(propylaminomethyl)phenyl]oxolane-2-carboxamide
CID 106910354
N-[1-(3-aminophenyl)ethyl]-5-methyloxolane-2-carboxamide
CID 81324524
2-methyl-N-[3-[1-(propylamino)ethyl]phenyl]furan-3-carboxamide
CID 43507889
(5R)-N-[2-(hydroxymethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
CID 167211610
N-[2-(2-fluoro-1-hydroxyethyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide
CID 167211525
N-[3-[1-(propylamino)ethyl]phenyl]cycloheptanamine
CID 82933701

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of 5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide (CID 81316838) is 5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for 5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide is CCCNC(C)c1cccc(NC(=O)C2CCC(C)O2)c1.
What is the InChIKey of 5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide?
The InChIKey is ILMDMRUNBAXENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-10-18-13(3)14-6-5-7-15(11-14)19-17(20)16-9-8-12(2)21-16/h5-7,11-13,16,18H,4,8-10H2,1-3H3,(H,19,20).
What are the key properties of 5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide?
5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 81316838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).