4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide

C21H25N3O3 — CID 17424194

IUPAC4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide
SMILESC=CCOc1ccc(CN(C)C(C)C(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C21H25N3O3/c1-4-13-27-19-11-5-16(6-12-19)14-24(3)15(2)21(26)23-18-9-7-17(8-10-18)20(22)25/h4-12,15H,1,13-14H2,2-3H3,(H2,22,25)(H,23,26)
InChIKeyBUARLRAEJFEREV-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.81
Rot. Bonds9

About 4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide

4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide (PubChem CID 17424194) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide
PubChem CID17424194
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide
SMILESC=CCOc1ccc(CN(C)C(C)C(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C21H25N3O3/c1-4-13-27-19-11-5-16(6-12-19)14-24(3)15(2)21(26)23-18-9-7-17(8-10-18)20(22)25/h4-12,15H,1,13-14H2,2-3H3,(H2,22,25)(H,23,26)
InChIKeyBUARLRAEJFEREV-UHFFFAOYSA-N
XLogP2.81
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 2504362
N-(3,4-dimethoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 46630573
(2R)-N-(3-methoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 9167652
4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide
CID 9054222
4-[2-[(6-amino-3-pyridinyl)methyl-methylamino]propanoylamino]benzamide
CID 167951786
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide
CID 8515256
4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide
CID 8514410
N-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 46614571
(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 9274605
(2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide
CID 7995629
4-[[(2S)-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propanoyl]amino]benzamide
CID 51939505
4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide
CID 17424193

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide?
The IUPAC name of 4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide (CID 17424194) is 4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide.
What is the SMILES notation for 4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide?
The canonical SMILES for 4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide is C=CCOc1ccc(CN(C)C(C)C(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide?
The InChIKey is BUARLRAEJFEREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-4-13-27-19-11-5-16(6-12-19)14-24(3)15(2)21(26)23-18-9-7-17(8-10-18)20(22)25/h4-12,15H,1,13-14H2,2-3H3,(H2,22,25)(H,23,26).
What are the key properties of 4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide?
4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide is sourced from PubChem (CID 17424194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).