3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide

C18H25NO2 — CID 3352945

IUPAC3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide
SMILESCCCN(CC1CCCO1)C(=O)C=Cc1ccc(C)cc1
InChIInChI=1S/C18H25NO2/c1-3-12-19(14-17-5-4-13-21-17)18(20)11-10-16-8-6-15(2)7-9-16/h6-11,17H,3-5,12-14H2,1-2H3
InChIKeyHQHGYRGLBBDPPL-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.43
Rot. Bonds6

About 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide

3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide (PubChem CID 3352945) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide
PubChem CID3352945
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide
SMILESCCCN(CC1CCCO1)C(=O)C=Cc1ccc(C)cc1
InChIInChI=1S/C18H25NO2/c1-3-12-19(14-17-5-4-13-21-17)18(20)11-10-16-8-6-15(2)7-9-16/h6-11,17H,3-5,12-14H2,1-2H3
InChIKeyHQHGYRGLBBDPPL-UHFFFAOYSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide 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

3-(1,3-benzodioxol-5-yl)-N-(oxan-2-ylmethyl)-N-propylprop-2-enamide
CID 72688493
N-ethyl-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 3350679
3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide
CID 3352018
N-[ethyl(oxolan-2-ylmethyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
CID 4924822
(E)-3-(4-fluorophenyl)-N-[oxolan-2-ylmethyl(propyl)carbamothioyl]prop-2-enamide
CID 6231907
2-[3-(4-fluorophenyl)prop-2-enoyl-(oxolan-2-ylmethyl)amino]acetic acid
CID 71915579
3-(2,4-dimethoxyphenyl)-N-(oxan-2-ylmethyl)-N-propylprop-2-enamide
CID 72688480
methyl 4-[(E)-3-[methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-oxoprop-1-enyl]benzoate
CID 95337635
(E)-N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 40851049
N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide
CID 75910284
(E)-N-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-enamide
CID 40850268
(E)-3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 19120021

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide?
The IUPAC name of 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide (CID 3352945) is 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide is CCCN(CC1CCCO1)C(=O)C=Cc1ccc(C)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide?
The InChIKey is HQHGYRGLBBDPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-12-19(14-17-5-4-13-21-17)18(20)11-10-16-8-6-15(2)7-9-16/h6-11,17H,3-5,12-14H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide?
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide has a molecular weight of 287.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide is sourced from PubChem (CID 3352945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).