(E)-3-cyclobutyl-N-[[3-(2-methylmorpholine-4-carbonyl)phenyl]methyl]prop-2-enamide

C20H26N2O3 — CID 84585787

IUPAC(E)-3-cyclobutyl-N-[[3-(2-methylmorpholine-4-carbonyl)phenyl]methyl]prop-2-enamide
SMILESCC1CN(C(=O)c2cccc(CNC(=O)/C=C/C3CCC3)c2)CCO1
InChIInChI=1S/C20H26N2O3/c1-15-14-22(10-11-25-15)20(24)18-7-3-6-17(12-18)13-21-19(23)9-8-16-4-2-5-16/h3,6-9,12,15-16H,2,4-5,10-11,13-14H2,1H3,(H,21,23)/b9-8+
InChIKeyKTLUZILYDWZLKF-CMDGGOBGSA-N
MW342.44 g/mol
LogP2.52
Rot. Bonds5

About (E)-3-cyclobutyl-N-[[3-(2-methylmorpholine-4-carbonyl)phenyl]methyl]prop-2-enamide

(E)-3-cyclobutyl-N-[[3-(2-methylmorpholine-4-carbonyl)phenyl]methyl]prop-2-enamide (PubChem CID 84585787) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (E)-3-cyclobutyl-N-[[3-(2-methylmorpholine-4-carbonyl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-cyclobutyl-N-[[3-(2-methylmorpholine-4-carbonyl)phenyl]methyl]prop-2-enamide
PubChem CID84585787
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(E)-3-cyclobutyl-N-[[3-(2-methylmorpholine-4-carbonyl)phenyl]methyl]prop-2-enamide
SMILESCC1CN(C(=O)c2cccc(CNC(=O)/C=C/C3CCC3)c2)CCO1
InChIInChI=1S/C20H26N2O3/c1-15-14-22(10-11-25-15)20(24)18-7-3-6-17(12-18)13-21-19(23)9-8-16-4-2-5-16/h3,6-9,12,15-16H,2,4-5,10-11,13-14H2,1H3,(H,21,23)/b9-8+
InChIKeyKTLUZILYDWZLKF-CMDGGOBGSA-N
XLogP2.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-cyclobutyl-N-[[3-(2-methylmorpholine-4-carbonyl)phenyl]methyl]prop-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

1-benzyl-3-[3-(2-methylmorpholine-4-carbonyl)phenyl]urea
CID 110605020
[3-[[(5-chloropyrimidin-2-yl)amino]methyl]phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone
CID 97220547
3-(2-methyl-1,4-oxazepane-4-carbonyl)benzoic acid
CID 62967125
(3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62973507
4,4-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pent-2-enamide
CID 72689925
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
methyl 4-[3-(chloromethyl)benzoyl]morpholine-2-carboxylate
CID 115534248
2-[(2S)-oxolan-2-yl]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 94130282
5-methyl-1-[[3-(morpholine-4-carbonyl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122480
2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352926
2,2-dimethyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352930
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 16580141

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclobutyl-N-[[3-(2-methylmorpholine-4-carbonyl)phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-cyclobutyl-N-[[3-(2-methylmorpholine-4-carbonyl)phenyl]methyl]prop-2-enamide (CID 84585787) is (E)-3-cyclobutyl-N-[[3-(2-methylmorpholine-4-carbonyl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-cyclobutyl-N-[[3-(2-methylmorpholine-4-carbonyl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-cyclobutyl-N-[[3-(2-methylmorpholine-4-carbonyl)phenyl]methyl]prop-2-enamide is CC1CN(C(=O)c2cccc(CNC(=O)/C=C/C3CCC3)c2)CCO1.
What is the InChIKey of (E)-3-cyclobutyl-N-[[3-(2-methylmorpholine-4-carbonyl)phenyl]methyl]prop-2-enamide?
The InChIKey is KTLUZILYDWZLKF-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15-14-22(10-11-25-15)20(24)18-7-3-6-17(12-18)13-21-19(23)9-8-16-4-2-5-16/h3,6-9,12,15-16H,2,4-5,10-11,13-14H2,1H3,(H,21,23)/b9-8+.
What are the key properties of (E)-3-cyclobutyl-N-[[3-(2-methylmorpholine-4-carbonyl)phenyl]methyl]prop-2-enamide?
(E)-3-cyclobutyl-N-[[3-(2-methylmorpholine-4-carbonyl)phenyl]methyl]prop-2-enamide has a molecular weight of 342.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclobutyl-N-[[3-(2-methylmorpholine-4-carbonyl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 84585787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).