2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide

C16H25FN4O — CID 111001379

IUPAC2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
SMILESCCN/C(=N\CC(=O)Nc1cccc(F)c1)NC(C)C(C)C
InChIInChI=1S/C16H25FN4O/c1-5-18-16(20-12(4)11(2)3)19-10-15(22)21-14-8-6-7-13(17)9-14/h6-9,11-12H,5,10H2,1-4H3,(H,21,22)(H2,18,19,20)
InChIKeyJTGSNSLZNZYMMU-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.36
Rot. Bonds6

About 2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide

2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide (PubChem CID 111001379) has the molecular formula C16H25FN4O and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
PubChem CID111001379
Molecular FormulaC16H25FN4O
Molecular Weight308.40 g/mol
Exact Mass308.20
IUPAC Name2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
SMILESCCN/C(=N\CC(=O)Nc1cccc(F)c1)NC(C)C(C)C
InChIInChI=1S/C16H25FN4O/c1-5-18-16(20-12(4)11(2)3)19-10-15(22)21-14-8-6-7-13(17)9-14/h6-9,11-12H,5,10H2,1-4H3,(H,21,22)(H2,18,19,20)
InChIKeyJTGSNSLZNZYMMU-UHFFFAOYSA-N
XLogP2.36
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111001350
2-[[[5-(diethylamino)pentan-2-ylamino]-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 110998660
2-[[[3-[di(propan-2-yl)amino]propylamino]-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111692076
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 110965529
2-[[[2-[di(propan-2-yl)amino]ethylamino]-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111247566
2-[[[(3-ethoxy-4-methylpentyl)amino]-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111718868
2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111001371
2-[[N-ethyl-N'-[2-(3-fluoroanilino)-2-oxoethyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364702
2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111930853
2-[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111693569
2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111317349
2-[[ethylamino-[3-(2-oxopyrrolidin-1-yl)propylamino]methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111147672

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide (CID 111001379) is 2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide is CCN/C(=N\CC(=O)Nc1cccc(F)c1)NC(C)C(C)C.
What is the InChIKey of 2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide?
The InChIKey is JTGSNSLZNZYMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4O/c1-5-18-16(20-12(4)11(2)3)19-10-15(22)21-14-8-6-7-13(17)9-14/h6-9,11-12H,5,10H2,1-4H3,(H,21,22)(H2,18,19,20).
What are the key properties of 2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide?
2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide has a molecular weight of 308.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 111001379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).