3-(2,4-dimethylphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide

C15H19NO2 — CID 77109928

IUPAC3-(2,4-dimethylphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)NC2CC(O)C2)c(C)c1
InChIInChI=1S/C15H19NO2/c1-10-3-4-12(11(2)7-10)5-6-15(18)16-13-8-14(17)9-13/h3-7,13-14,17H,8-9H2,1-2H3,(H,16,18)
InChIKeyGQSWGHBUVTVQND-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.96
Rot. Bonds3

About 3-(2,4-dimethylphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide

3-(2,4-dimethylphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide (PubChem CID 77109928) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
PubChem CID77109928
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-(2,4-dimethylphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)NC2CC(O)C2)c(C)c1
InChIInChI=1S/C15H19NO2/c1-10-3-4-12(11(2)7-10)5-6-15(18)16-13-8-14(17)9-13/h3-7,13-14,17H,8-9H2,1-2H3,(H,16,18)
InChIKeyGQSWGHBUVTVQND-UHFFFAOYSA-N
XLogP1.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

BE-52211 B
CID 643705
(E)-N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methylphenyl)prop-2-enamide
CID 40036376
(E)-N-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenyl)prop-2-enamide
CID 40036378
n-(1-Hydroxypropan-2-yl)-3-(o-tolyl)acrylamide
CID 42954644
(E)-N-(4-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide
CID 43389166
(E)-N-(2-hydroxypropyl)-3-(2-methylphenyl)prop-2-enamide
CID 43418454
(E)-N-(2-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide
CID 62361057
(E)-N-[(2S)-1-hydroxybutan-2-yl]-3-(2-methylphenyl)prop-2-enamide
CID 93041565
(E)-N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 93041601
(E)-N-(2-hydroxybutyl)-3-(2-methylphenyl)prop-2-enamide
CID 116242481
BE-52211 C
CID 11210471
(E)-N-(2-hydroxybutyl)-3-(4-methylphenyl)prop-2-enamide
CID 113492657

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide (CID 77109928) is 3-(2,4-dimethylphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide is Cc1ccc(C=CC(=O)NC2CC(O)C2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide?
The InChIKey is GQSWGHBUVTVQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-3-4-12(11(2)7-10)5-6-15(18)16-13-8-14(17)9-13/h3-7,13-14,17H,8-9H2,1-2H3,(H,16,18).
What are the key properties of 3-(2,4-dimethylphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide?
3-(2,4-dimethylphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide has a molecular weight of 245.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide is sourced from PubChem (CID 77109928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).