N-[(Z)-1-phenylpropan-2-ylideneamino]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

C22H25N3O — CID 6249873

IUPACN-[(Z)-1-phenylpropan-2-ylideneamino]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
SMILESC/C(Cc1ccccc1)=N/NC(=O)Cc1c(C)[nH]c2c(C)cc(C)cc12
InChIInChI=1S/C22H25N3O/c1-14-10-15(2)22-20(11-14)19(17(4)23-22)13-21(26)25-24-16(3)12-18-8-6-5-7-9-18/h5-11,23H,12-13H2,1-4H3,(H,25,26)/b24-16-
InChIKeySHESVGPBFIRKIF-JLPGSUDCSA-N
MW347.46 g/mol
LogP4.37
Rot. Bonds5

About N-[(Z)-1-phenylpropan-2-ylideneamino]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

N-[(Z)-1-phenylpropan-2-ylideneamino]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide (PubChem CID 6249873) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(Z)-1-phenylpropan-2-ylideneamino]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-phenylpropan-2-ylideneamino]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
PubChem CID6249873
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-[(Z)-1-phenylpropan-2-ylideneamino]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
SMILESC/C(Cc1ccccc1)=N/NC(=O)Cc1c(C)[nH]c2c(C)cc(C)cc12
InChIInChI=1S/C22H25N3O/c1-14-10-15(2)22-20(11-14)19(17(4)23-22)13-21(26)25-24-16(3)12-18-8-6-5-7-9-18/h5-11,23H,12-13H2,1-4H3,(H,25,26)/b24-16-
InChIKeySHESVGPBFIRKIF-JLPGSUDCSA-N
XLogP4.37
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-phenylpropan-2-ylideneamino]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(Z)-1-phenylpropan-2-ylideneamino]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide (CID 6249873) is N-[(Z)-1-phenylpropan-2-ylideneamino]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(Z)-1-phenylpropan-2-ylideneamino]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(Z)-1-phenylpropan-2-ylideneamino]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide is C/C(Cc1ccccc1)=N/NC(=O)Cc1c(C)[nH]c2c(C)cc(C)cc12.
What is the InChIKey of N-[(Z)-1-phenylpropan-2-ylideneamino]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
The InChIKey is SHESVGPBFIRKIF-JLPGSUDCSA-N. The full InChI is InChI=1S/C22H25N3O/c1-14-10-15(2)22-20(11-14)19(17(4)23-22)13-21(26)25-24-16(3)12-18-8-6-5-7-9-18/h5-11,23H,12-13H2,1-4H3,(H,25,26)/b24-16-.
What are the key properties of N-[(Z)-1-phenylpropan-2-ylideneamino]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
N-[(Z)-1-phenylpropan-2-ylideneamino]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-phenylpropan-2-ylideneamino]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 6249873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).