2-(4-methoxyphenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide

C22H23N3O2 — CID 21370835

IUPAC2-(4-methoxyphenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide
SMILESC=CCn1c(C)c(/C=N/NC(=O)Cc2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C22H23N3O2/c1-4-13-25-16(2)20(19-7-5-6-8-21(19)25)15-23-24-22(26)14-17-9-11-18(27-3)12-10-17/h4-12,15H,1,13-14H2,2-3H3,(H,24,26)/b23-15+
InChIKeySCLSMQHWYFPIMD-HZHRSRAPSA-N
MW361.45 g/mol
LogP3.84
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide

2-(4-methoxyphenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide (PubChem CID 21370835) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide
PubChem CID21370835
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(4-methoxyphenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide
SMILESC=CCn1c(C)c(/C=N/NC(=O)Cc2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C22H23N3O2/c1-4-13-25-16(2)20(19-7-5-6-8-21(19)25)15-23-24-22(26)14-17-9-11-18(27-3)12-10-17/h4-12,15H,1,13-14H2,2-3H3,(H,24,26)/b23-15+
InChIKeySCLSMQHWYFPIMD-HZHRSRAPSA-N
XLogP3.84
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 21379856
N-[[1-[(3,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4033495
2,4-dimethoxy-N-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 5135447
N-[(Z)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 126015839
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide
CID 6883031
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126258425
N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 126259376
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126150640
2-(4-chlorophenyl)-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]acetamide
CID 5425745
2-(4-chlorophenyl)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide
CID 955693
N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126366917
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 1389645

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide (CID 21370835) is 2-(4-methoxyphenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide is C=CCn1c(C)c(/C=N/NC(=O)Cc2ccc(OC)cc2)c2ccccc21.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide?
The InChIKey is SCLSMQHWYFPIMD-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-4-13-25-16(2)20(19-7-5-6-8-21(19)25)15-23-24-22(26)14-17-9-11-18(27-3)12-10-17/h4-12,15H,1,13-14H2,2-3H3,(H,24,26)/b23-15+.
What are the key properties of 2-(4-methoxyphenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide?
2-(4-methoxyphenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide has a molecular weight of 361.45 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(E)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 21370835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).