4-ethyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide

C26H34N2O2 — CID 10250791

IUPAC4-ethyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCCc1ccc(C(=O)N(CCCN2CCOCC2)C/C(C)=C/c2ccccc2)cc1
InChIInChI=1S/C26H34N2O2/c1-3-23-10-12-25(13-11-23)26(29)28(15-7-14-27-16-18-30-19-17-27)21-22(2)20-24-8-5-4-6-9-24/h4-6,8-13,20H,3,7,14-19,21H2,1-2H3/b22-20+
InChIKeySNYSAFXNXZUUJX-LSDHQDQOSA-N
MW406.57 g/mol
LogP4.52
Rot. Bonds9

About 4-ethyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide

4-ethyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 10250791) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 4-ethyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID10250791
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name4-ethyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCCc1ccc(C(=O)N(CCCN2CCOCC2)C/C(C)=C/c2ccccc2)cc1
InChIInChI=1S/C26H34N2O2/c1-3-23-10-12-25(13-11-23)26(29)28(15-7-14-27-16-18-30-19-17-27)21-22(2)20-24-8-5-4-6-9-24/h4-6,8-13,20H,3,7,14-19,21H2,1-2H3/b22-20+
InChIKeySNYSAFXNXZUUJX-LSDHQDQOSA-N
XLogP4.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 42701327
3-methoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 10000728
4-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42705023
N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide
CID 1060482
N-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 67379055
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-ethyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 4205901
N-[3-(4-benzylpiperidin-1-yl)propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide;N-(3-hydroxypropyl)-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 160848606
4-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42770301
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide
CID 4083024
4-ethoxy-N-(3-morpholin-4-ylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 46332972
N-[3-(3-benzylpiperazin-1-yl)propyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 87539342
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 4098227

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-ethyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide (CID 10250791) is 4-ethyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-ethyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-ethyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide is CCc1ccc(C(=O)N(CCCN2CCOCC2)C/C(C)=C/c2ccccc2)cc1.
What is the InChIKey of 4-ethyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is SNYSAFXNXZUUJX-LSDHQDQOSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-3-23-10-12-25(13-11-23)26(29)28(15-7-14-27-16-18-30-19-17-27)21-22(2)20-24-8-5-4-6-9-24/h4-6,8-13,20H,3,7,14-19,21H2,1-2H3/b22-20+.
What are the key properties of 4-ethyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide?
4-ethyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 406.57 g/mol, XLogP of 4.52, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 10250791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).