2-[[ethylamino-(3-phenylpropylamino)methylidene]amino]-N-propylacetamide

C17H28N4O — CID 111199790

IUPAC2-[[ethylamino-(3-phenylpropylamino)methylidene]amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\NCC)NCCCc1ccccc1
InChIInChI=1S/C17H28N4O/c1-3-12-19-16(22)14-21-17(18-4-2)20-13-8-11-15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-14H2,1-2H3,(H,19,22)(H2,18,20,21)
InChIKeyZBDGANOWJSFNAW-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.70
Rot. Bonds9

About 2-[[ethylamino-(3-phenylpropylamino)methylidene]amino]-N-propylacetamide

2-[[ethylamino-(3-phenylpropylamino)methylidene]amino]-N-propylacetamide (PubChem CID 111199790) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[[ethylamino-(3-phenylpropylamino)methylidene]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[ethylamino-(3-phenylpropylamino)methylidene]amino]-N-propylacetamide
PubChem CID111199790
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-[[ethylamino-(3-phenylpropylamino)methylidene]amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\NCC)NCCCc1ccccc1
InChIInChI=1S/C17H28N4O/c1-3-12-19-16(22)14-21-17(18-4-2)20-13-8-11-15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-14H2,1-2H3,(H,19,22)(H2,18,20,21)
InChIKeyZBDGANOWJSFNAW-UHFFFAOYSA-N
XLogP1.70
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide
CID 110930238
2-[[(3-butoxypropylamino)-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111239439
2-[[butylamino(ethylamino)methylidene]amino]-N-propylacetamide
CID 111152104
2-[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111693912
2-[[ethylamino-(3-phenylpropylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 111199112
2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111001469
2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111373339
1-ethyl-2-(2-ethyl-2-hydroxybutyl)-3-(3-phenylpropyl)guanidine
CID 111199310
2-[[ethylamino-(2-phenoxyethylamino)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111006182
2-[[ethylamino-[2-(2-fluorophenyl)ethylamino]methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111362450
2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111373338
3-[(N'-benzyl-N-ethylcarbamimidoyl)amino]-N-propylpropanamide;hydroiodide
CID 110955045

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(3-phenylpropylamino)methylidene]amino]-N-propylacetamide?
The IUPAC name of 2-[[ethylamino-(3-phenylpropylamino)methylidene]amino]-N-propylacetamide (CID 111199790) is 2-[[ethylamino-(3-phenylpropylamino)methylidene]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[ethylamino-(3-phenylpropylamino)methylidene]amino]-N-propylacetamide?
The canonical SMILES for 2-[[ethylamino-(3-phenylpropylamino)methylidene]amino]-N-propylacetamide is CCCNC(=O)C/N=C(\NCC)NCCCc1ccccc1.
What is the InChIKey of 2-[[ethylamino-(3-phenylpropylamino)methylidene]amino]-N-propylacetamide?
The InChIKey is ZBDGANOWJSFNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-3-12-19-16(22)14-21-17(18-4-2)20-13-8-11-15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-14H2,1-2H3,(H,19,22)(H2,18,20,21).
What are the key properties of 2-[[ethylamino-(3-phenylpropylamino)methylidene]amino]-N-propylacetamide?
2-[[ethylamino-(3-phenylpropylamino)methylidene]amino]-N-propylacetamide has a molecular weight of 304.44 g/mol, XLogP of 1.70, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(3-phenylpropylamino)methylidene]amino]-N-propylacetamide is sourced from PubChem (CID 111199790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).