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

C16H24N2O2 — CID 61272203

IUPACN-[3-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide
SMILESCCCNC(C)c1cccc(NC(=O)C2CCOC2)c1
InChIInChI=1S/C16H24N2O2/c1-3-8-17-12(2)13-5-4-6-15(10-13)18-16(19)14-7-9-20-11-14/h4-6,10,12,14,17H,3,7-9,11H2,1-2H3,(H,18,19)
InChIKeySAXFNBAPRBAEMW-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.72
Rot. Bonds6

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

N-[3-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide (PubChem CID 61272203) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[3-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide
PubChem CID61272203
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[3-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide
SMILESCCCNC(C)c1cccc(NC(=O)C2CCOC2)c1
InChIInChI=1S/C16H24N2O2/c1-3-8-17-12(2)13-5-4-6-15(10-13)18-16(19)14-7-9-20-11-14/h4-6,10,12,14,17H,3,7-9,11H2,1-2H3,(H,18,19)
InChIKeySAXFNBAPRBAEMW-UHFFFAOYSA-N
XLogP2.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide
CID 81316838
2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide
CID 65157098
1-cyclopropyl-1-methyl-3-[3-[1-(propylamino)ethyl]phenyl]urea
CID 61339846
N-[2-[1-(propylamino)ethyl]phenyl]oxane-3-carboxamide
CID 63010645
N-(3-acetylphenyl)oxolane-3-carboxamide
CID 61276696
N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]oxolane-3-carboxamide
CID 86849698
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169
N-[3-(bromomethyl)phenyl]oxolane-3-carboxamide
CID 114307353
N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide
CID 114293301
N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide
CID 106910686
N-[2-[1-(ethylamino)ethyl]phenyl]oxolane-3-carboxamide
CID 61272378
1-(2-methylbutan-2-yl)-3-[3-[1-(propylamino)ethyl]phenyl]urea
CID 61340529

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide?
The IUPAC name of N-[3-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide (CID 61272203) is N-[3-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[3-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide?
The canonical SMILES for N-[3-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide is CCCNC(C)c1cccc(NC(=O)C2CCOC2)c1.
What is the InChIKey of N-[3-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide?
The InChIKey is SAXFNBAPRBAEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-8-17-12(2)13-5-4-6-15(10-13)18-16(19)14-7-9-20-11-14/h4-6,10,12,14,17H,3,7-9,11H2,1-2H3,(H,18,19).
What are the key properties of N-[3-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide?
N-[3-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 61272203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).