N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(1-phenylpropan-2-ylamino)acetamide

C20H21N3O2 — CID 20838461

IUPACN-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(1-phenylpropan-2-ylamino)acetamide
SMILESCC(Cc1ccccc1)NCC(=O)N/N=C/c1cc2ccccc2o1
InChIInChI=1S/C20H21N3O2/c1-15(11-16-7-3-2-4-8-16)21-14-20(24)23-22-13-18-12-17-9-5-6-10-19(17)25-18/h2-10,12-13,15,21H,11,14H2,1H3,(H,23,24)/b22-13+
InChIKeyCRMOETMRVZQTSJ-LPYMAVHISA-N
MW335.41 g/mol
LogP3.10
Rot. Bonds7

About N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(1-phenylpropan-2-ylamino)acetamide

N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(1-phenylpropan-2-ylamino)acetamide (PubChem CID 20838461) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(1-phenylpropan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(1-phenylpropan-2-ylamino)acetamide
PubChem CID20838461
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(1-phenylpropan-2-ylamino)acetamide
SMILESCC(Cc1ccccc1)NCC(=O)N/N=C/c1cc2ccccc2o1
InChIInChI=1S/C20H21N3O2/c1-15(11-16-7-3-2-4-8-16)21-14-20(24)23-22-13-18-12-17-9-5-6-10-19(17)25-18/h2-10,12-13,15,21H,11,14H2,1H3,(H,23,24)/b22-13+
InChIKeyCRMOETMRVZQTSJ-LPYMAVHISA-N
XLogP3.10
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(1-phenylpropan-2-ylamino)acetamide?
The IUPAC name of N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(1-phenylpropan-2-ylamino)acetamide (CID 20838461) is N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(1-phenylpropan-2-ylamino)acetamide.
What is the SMILES notation for N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(1-phenylpropan-2-ylamino)acetamide?
The canonical SMILES for N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(1-phenylpropan-2-ylamino)acetamide is CC(Cc1ccccc1)NCC(=O)N/N=C/c1cc2ccccc2o1.
What is the InChIKey of N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(1-phenylpropan-2-ylamino)acetamide?
The InChIKey is CRMOETMRVZQTSJ-LPYMAVHISA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15(11-16-7-3-2-4-8-16)21-14-20(24)23-22-13-18-12-17-9-5-6-10-19(17)25-18/h2-10,12-13,15,21H,11,14H2,1H3,(H,23,24)/b22-13+.
What are the key properties of N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(1-phenylpropan-2-ylamino)acetamide?
N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(1-phenylpropan-2-ylamino)acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(1-phenylpropan-2-ylamino)acetamide is sourced from PubChem (CID 20838461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).