(2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide

C22H26N2O3 — CID 2504362

IUPAC(2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
SMILESC=CCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-5-14-27-21-12-6-18(7-13-21)15-24(4)16(2)22(26)23-20-10-8-19(9-11-20)17(3)25/h5-13,16H,1,14-15H2,2-4H3,(H,23,26)/t16-/m0/s1
InChIKeyUVOMAQNVGPSQEN-INIZCTEOSA-N
MW366.46 g/mol
LogP3.91
Rot. Bonds9

About (2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide

(2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide (PubChem CID 2504362) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
PubChem CID2504362
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
SMILESC=CCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-5-14-27-21-12-6-18(7-13-21)15-24(4)16(2)22(26)23-20-10-8-19(9-11-20)17(3)25/h5-13,16H,1,14-15H2,2-4H3,(H,23,26)/t16-/m0/s1
InChIKeyUVOMAQNVGPSQEN-INIZCTEOSA-N
XLogP3.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide 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

4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide
CID 17424194
N-(3,4-dimethoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 46630573
(2R)-N-(4-acetylphenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517311
N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide
CID 42911459
(2R)-N-(3-methoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 9167652
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide
CID 8515256
2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide
CID 50960177
(2S)-2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide
CID 95125483
N-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 46614571
(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 9274605
(2R)-N-(4-acetylphenyl)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propanamide
CID 8746326
4-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 46801521

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide?
The IUPAC name of (2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide (CID 2504362) is (2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide?
The canonical SMILES for (2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide is C=CCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of (2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide?
The InChIKey is UVOMAQNVGPSQEN-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-5-14-27-21-12-6-18(7-13-21)15-24(4)16(2)22(26)23-20-10-8-19(9-11-20)17(3)25/h5-13,16H,1,14-15H2,2-4H3,(H,23,26)/t16-/m0/s1.
What are the key properties of (2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide?
(2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide has a molecular weight of 366.46 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide is sourced from PubChem (CID 2504362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).