5-methyl-N-[4-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide

C17H26N2O2 — CID 114824615

IUPAC5-methyl-N-[4-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide
SMILESCCCNC(C)c1ccc(NC(=O)C2COC(C)C2)cc1
InChIInChI=1S/C17H26N2O2/c1-4-9-18-13(3)14-5-7-16(8-6-14)19-17(20)15-10-12(2)21-11-15/h5-8,12-13,15,18H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyRQRAIAHZMYVVDJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.11
Rot. Bonds6

About 5-methyl-N-[4-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide

5-methyl-N-[4-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide (PubChem CID 114824615) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-methyl-N-[4-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide
PubChem CID114824615
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name5-methyl-N-[4-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide
SMILESCCCNC(C)c1ccc(NC(=O)C2COC(C)C2)cc1
InChIInChI=1S/C17H26N2O2/c1-4-9-18-13(3)14-5-7-16(8-6-14)19-17(20)15-10-12(2)21-11-15/h5-8,12-13,15,18H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyRQRAIAHZMYVVDJ-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methyl-N-[4-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide
CID 43507733
1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 43508325
ethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
CID 43508328
1-tert-butyl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 43508324
N-(6-bromo-3-pyridinyl)-5-methyloxolane-3-carboxamide
CID 102676297
N-[3-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide
CID 61272203
1-butan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 61341260
2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide
CID 62678760
2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
CID 43508327
3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide
CID 62715274
5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide
CID 81316838
1-(1,2-oxazol-3-yl)-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 62902901

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide?
The IUPAC name of 5-methyl-N-[4-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide (CID 114824615) is 5-methyl-N-[4-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide is CCCNC(C)c1ccc(NC(=O)C2COC(C)C2)cc1.
What is the InChIKey of 5-methyl-N-[4-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide?
The InChIKey is RQRAIAHZMYVVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-9-18-13(3)14-5-7-16(8-6-14)19-17(20)15-10-12(2)21-11-15/h5-8,12-13,15,18H,4,9-11H2,1-3H3,(H,19,20).
What are the key properties of 5-methyl-N-[4-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide?
5-methyl-N-[4-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 114824615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).