4-(oxolan-3-ylmethylamino)-N-prop-2-enylbenzamide

C15H20N2O2 — CID 54865698

IUPAC4-(oxolan-3-ylmethylamino)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NCC2CCOC2)cc1
InChIInChI=1S/C15H20N2O2/c1-2-8-16-15(18)13-3-5-14(6-4-13)17-10-12-7-9-19-11-12/h2-6,12,17H,1,7-11H2,(H,16,18)
InChIKeyZGWINNQQKKLVMO-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.05
Rot. Bonds6

About 4-(oxolan-3-ylmethylamino)-N-prop-2-enylbenzamide

4-(oxolan-3-ylmethylamino)-N-prop-2-enylbenzamide (PubChem CID 54865698) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(oxolan-3-ylmethylamino)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-(oxolan-3-ylmethylamino)-N-prop-2-enylbenzamide
PubChem CID54865698
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-(oxolan-3-ylmethylamino)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NCC2CCOC2)cc1
InChIInChI=1S/C15H20N2O2/c1-2-8-16-15(18)13-3-5-14(6-4-13)17-10-12-7-9-19-11-12/h2-6,12,17H,1,7-11H2,(H,16,18)
InChIKeyZGWINNQQKKLVMO-UHFFFAOYSA-N
XLogP2.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-(oxolan-3-ylmethylamino)benzamide
CID 43687551
N-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 43204093
N-cyclopropyl-4-(oxan-3-ylmethylamino)benzamide
CID 63737546
4-(ethylamino)-N-(oxan-3-ylmethyl)benzamide
CID 62175319
4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 62824000
4-[(4-aminocyclohexyl)amino]-N-prop-2-enylbenzamide
CID 79730453
[4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid
CID 90422434
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493
4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide
CID 62247297
4-hydrazinyl-N-prop-2-enylbenzamide
CID 138742315
3-amino-4-cyano-5-(oxolan-3-ylmethylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103507187

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-ylmethylamino)-N-prop-2-enylbenzamide?
The IUPAC name of 4-(oxolan-3-ylmethylamino)-N-prop-2-enylbenzamide (CID 54865698) is 4-(oxolan-3-ylmethylamino)-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-(oxolan-3-ylmethylamino)-N-prop-2-enylbenzamide?
The canonical SMILES for 4-(oxolan-3-ylmethylamino)-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(NCC2CCOC2)cc1.
What is the InChIKey of 4-(oxolan-3-ylmethylamino)-N-prop-2-enylbenzamide?
The InChIKey is ZGWINNQQKKLVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-8-16-15(18)13-3-5-14(6-4-13)17-10-12-7-9-19-11-12/h2-6,12,17H,1,7-11H2,(H,16,18).
What are the key properties of 4-(oxolan-3-ylmethylamino)-N-prop-2-enylbenzamide?
4-(oxolan-3-ylmethylamino)-N-prop-2-enylbenzamide has a molecular weight of 260.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-ylmethylamino)-N-prop-2-enylbenzamide is sourced from PubChem (CID 54865698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).