2-[[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]methyl]-3-(4-fluorophenyl)propanamide

C19H29FN4O2 — CID 109386935

IUPAC2-[[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]methyl]-3-(4-fluorophenyl)propanamide
SMILESCCN/C(=N\CC(Cc1ccc(F)cc1)C(N)=O)N(C)CC1CCOC1
InChIInChI=1S/C19H29FN4O2/c1-3-22-19(24(2)12-15-8-9-26-13-15)23-11-16(18(21)25)10-14-4-6-17(20)7-5-14/h4-7,15-16H,3,8-13H2,1-2H3,(H2,21,25)(H,22,23)
InChIKeyZPZQITGINLTZSX-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.40
Rot. Bonds8

About 2-[[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]methyl]-3-(4-fluorophenyl)propanamide

2-[[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]methyl]-3-(4-fluorophenyl)propanamide (PubChem CID 109386935) has the molecular formula C19H29FN4O2 and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-[[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]methyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-[[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]methyl]-3-(4-fluorophenyl)propanamide
PubChem CID109386935
Molecular FormulaC19H29FN4O2
Molecular Weight364.47 g/mol
Exact Mass364.23
IUPAC Name2-[[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]methyl]-3-(4-fluorophenyl)propanamide
SMILESCCN/C(=N\CC(Cc1ccc(F)cc1)C(N)=O)N(C)CC1CCOC1
InChIInChI=1S/C19H29FN4O2/c1-3-22-19(24(2)12-15-8-9-26-13-15)23-11-16(18(21)25)10-14-4-6-17(20)7-5-14/h4-7,15-16H,3,8-13H2,1-2H3,(H2,21,25)(H,22,23)
InChIKeyZPZQITGINLTZSX-UHFFFAOYSA-N
XLogP1.40
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.40
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 2-[[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]methyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of 2-[[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]methyl]-3-(4-fluorophenyl)propanamide (CID 109386935) is 2-[[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]methyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for 2-[[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]methyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for 2-[[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]methyl]-3-(4-fluorophenyl)propanamide is CCN/C(=N\CC(Cc1ccc(F)cc1)C(N)=O)N(C)CC1CCOC1.
What is the InChIKey of 2-[[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]methyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is ZPZQITGINLTZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O2/c1-3-22-19(24(2)12-15-8-9-26-13-15)23-11-16(18(21)25)10-14-4-6-17(20)7-5-14/h4-7,15-16H,3,8-13H2,1-2H3,(H2,21,25)(H,22,23).
What are the key properties of 2-[[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]methyl]-3-(4-fluorophenyl)propanamide?
2-[[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]methyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 364.47 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]methyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 109386935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).