ethyl N'-[3-(2-amino-1,3-dihydroinden-2-yl)-4-ethylphenyl]carbamimidate

C20H25N3O — CID 10268130

IUPACethyl N'-[3-(2-amino-1,3-dihydroinden-2-yl)-4-ethylphenyl]carbamimidate
SMILESCCO/C(N)=N\c1ccc(CC)c(C2(N)Cc3ccccc3C2)c1
InChIInChI=1S/C20H25N3O/c1-3-14-9-10-17(23-19(21)24-4-2)11-18(14)20(22)12-15-7-5-6-8-16(15)13-20/h5-11H,3-4,12-13,22H2,1-2H3,(H2,21,23)
InChIKeyABFFIVLLSHERLA-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.18
Rot. Bonds4

About ethyl N'-[3-(2-amino-1,3-dihydroinden-2-yl)-4-ethylphenyl]carbamimidate

ethyl N'-[3-(2-amino-1,3-dihydroinden-2-yl)-4-ethylphenyl]carbamimidate (PubChem CID 10268130) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is ethyl N'-[3-(2-amino-1,3-dihydroinden-2-yl)-4-ethylphenyl]carbamimidate.

Molecular Properties

Compound Nameethyl N'-[3-(2-amino-1,3-dihydroinden-2-yl)-4-ethylphenyl]carbamimidate
PubChem CID10268130
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Nameethyl N'-[3-(2-amino-1,3-dihydroinden-2-yl)-4-ethylphenyl]carbamimidate
SMILESCCO/C(N)=N\c1ccc(CC)c(C2(N)Cc3ccccc3C2)c1
InChIInChI=1S/C20H25N3O/c1-3-14-9-10-17(23-19(21)24-4-2)11-18(14)20(22)12-15-7-5-6-8-16(15)13-20/h5-11H,3-4,12-13,22H2,1-2H3,(H2,21,23)
InChIKeyABFFIVLLSHERLA-UHFFFAOYSA-N
XLogP3.18
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N'-[3-(2-amino-1,3-dihydroinden-2-yl)-4-ethylphenyl]carbamimidate?
The IUPAC name of ethyl N'-[3-(2-amino-1,3-dihydroinden-2-yl)-4-ethylphenyl]carbamimidate (CID 10268130) is ethyl N'-[3-(2-amino-1,3-dihydroinden-2-yl)-4-ethylphenyl]carbamimidate.
What is the SMILES notation for ethyl N'-[3-(2-amino-1,3-dihydroinden-2-yl)-4-ethylphenyl]carbamimidate?
The canonical SMILES for ethyl N'-[3-(2-amino-1,3-dihydroinden-2-yl)-4-ethylphenyl]carbamimidate is CCO/C(N)=N\c1ccc(CC)c(C2(N)Cc3ccccc3C2)c1.
What is the InChIKey of ethyl N'-[3-(2-amino-1,3-dihydroinden-2-yl)-4-ethylphenyl]carbamimidate?
The InChIKey is ABFFIVLLSHERLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-3-14-9-10-17(23-19(21)24-4-2)11-18(14)20(22)12-15-7-5-6-8-16(15)13-20/h5-11H,3-4,12-13,22H2,1-2H3,(H2,21,23).
What are the key properties of ethyl N'-[3-(2-amino-1,3-dihydroinden-2-yl)-4-ethylphenyl]carbamimidate?
ethyl N'-[3-(2-amino-1,3-dihydroinden-2-yl)-4-ethylphenyl]carbamimidate has a molecular weight of 323.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N'-[3-(2-amino-1,3-dihydroinden-2-yl)-4-ethylphenyl]carbamimidate is sourced from PubChem (CID 10268130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).