3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide

C15H24N4O — CID 111077891

IUPAC3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide
SMILESCCCNC(=O)CC/N=C(\N)Nc1ccc(CC)cc1
InChIInChI=1S/C15H24N4O/c1-3-10-17-14(20)9-11-18-15(16)19-13-7-5-12(4-2)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,17,20)(H3,16,18,19)
InChIKeyIWGCNDJWZDMFJT-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.89
Rot. Bonds7

About 3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide

3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide (PubChem CID 111077891) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide
PubChem CID111077891
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide
SMILESCCCNC(=O)CC/N=C(\N)Nc1ccc(CC)cc1
InChIInChI=1S/C15H24N4O/c1-3-10-17-14(20)9-11-18-15(16)19-13-7-5-12(4-2)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,17,20)(H3,16,18,19)
InChIKeyIWGCNDJWZDMFJT-UHFFFAOYSA-N
XLogP1.89
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.89
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

3-[[amino-(4-ethylanilino)methylidene]amino]-N-benzylpropanamide;hydroiodide
CID 111092279
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide
CID 111027931
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111030532
propan-2-yl 3-[[amino-(4-ethylanilino)methylidene]amino]propanoate
CID 111037110
1-(4-ethylphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 111054657
2-[[amino-(4-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090956
methyl 5-[[amino-(4-ethylanilino)methylidene]amino]pentanoate;hydroiodide
CID 111086128
methyl 6-[[amino-(4-ethylanilino)methylidene]amino]hexanoate
CID 111029138
2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-propylacetamide
CID 111032162
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide
CID 111042970
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042802
2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111821897

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide?
The IUPAC name of 3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide (CID 111077891) is 3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide.
What is the SMILES notation for 3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide?
The canonical SMILES for 3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide is CCCNC(=O)CC/N=C(\N)Nc1ccc(CC)cc1.
What is the InChIKey of 3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide?
The InChIKey is IWGCNDJWZDMFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-10-17-14(20)9-11-18-15(16)19-13-7-5-12(4-2)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,17,20)(H3,16,18,19).
What are the key properties of 3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide?
3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide is sourced from PubChem (CID 111077891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).