2-[[ethylamino-[(2-methyl-3-thiophen-2-ylpropyl)amino]methylidene]amino]-N-phenylacetamide

C19H26N4OS — CID 111673826

IUPAC2-[[ethylamino-[(2-methyl-3-thiophen-2-ylpropyl)amino]methylidene]amino]-N-phenylacetamide
SMILESCCN/C(=N\CC(=O)Nc1ccccc1)NCC(C)Cc1cccs1
InChIInChI=1S/C19H26N4OS/c1-3-20-19(21-13-15(2)12-17-10-7-11-25-17)22-14-18(24)23-16-8-5-4-6-9-16/h4-11,15H,3,12-14H2,1-2H3,(H,23,24)(H2,20,21,22)
InChIKeyAGARLRQYZZCUQG-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.12
Rot. Bonds8

About 2-[[ethylamino-[(2-methyl-3-thiophen-2-ylpropyl)amino]methylidene]amino]-N-phenylacetamide

2-[[ethylamino-[(2-methyl-3-thiophen-2-ylpropyl)amino]methylidene]amino]-N-phenylacetamide (PubChem CID 111673826) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-[[ethylamino-[(2-methyl-3-thiophen-2-ylpropyl)amino]methylidene]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[ethylamino-[(2-methyl-3-thiophen-2-ylpropyl)amino]methylidene]amino]-N-phenylacetamide
PubChem CID111673826
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name2-[[ethylamino-[(2-methyl-3-thiophen-2-ylpropyl)amino]methylidene]amino]-N-phenylacetamide
SMILESCCN/C(=N\CC(=O)Nc1ccccc1)NCC(C)Cc1cccs1
InChIInChI=1S/C19H26N4OS/c1-3-20-19(21-13-15(2)12-17-10-7-11-25-17)22-14-18(24)23-16-8-5-4-6-9-16/h4-11,15H,3,12-14H2,1-2H3,(H,23,24)(H2,20,21,22)
InChIKeyAGARLRQYZZCUQG-UHFFFAOYSA-N
XLogP3.12
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.12
H-Bond Donors ≤ 53
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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Related Compounds

2-[[ethylamino-(2-methylpropylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111178675
2-(dimethylamino)-N-[3-[[[ethylamino-[(2-methyl-3-thiophen-2-ylpropyl)amino]methylidene]amino]methyl]phenyl]acetamide
CID 111520983
1-ethyl-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111673325
1,3-diethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111465195
2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 110977936
4-[[[ethylamino-[(2-methyl-3-thiophen-2-ylpropyl)amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111673409
2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111001350
1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine
CID 109419280
1-ethyl-2-[[2-(methoxymethyl)phenyl]methyl]-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111674225
1-ethyl-3-(2-methyl-3-thiophen-2-ylpropyl)-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine
CID 111674190
N-(2-amino-2-oxoethyl)-4-[[[ethylamino-[(2-methyl-3-thiophen-2-ylpropyl)amino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111674397
2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111678331

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[(2-methyl-3-thiophen-2-ylpropyl)amino]methylidene]amino]-N-phenylacetamide?
The IUPAC name of 2-[[ethylamino-[(2-methyl-3-thiophen-2-ylpropyl)amino]methylidene]amino]-N-phenylacetamide (CID 111673826) is 2-[[ethylamino-[(2-methyl-3-thiophen-2-ylpropyl)amino]methylidene]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[ethylamino-[(2-methyl-3-thiophen-2-ylpropyl)amino]methylidene]amino]-N-phenylacetamide?
The canonical SMILES for 2-[[ethylamino-[(2-methyl-3-thiophen-2-ylpropyl)amino]methylidene]amino]-N-phenylacetamide is CCN/C(=N\CC(=O)Nc1ccccc1)NCC(C)Cc1cccs1.
What is the InChIKey of 2-[[ethylamino-[(2-methyl-3-thiophen-2-ylpropyl)amino]methylidene]amino]-N-phenylacetamide?
The InChIKey is AGARLRQYZZCUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-3-20-19(21-13-15(2)12-17-10-7-11-25-17)22-14-18(24)23-16-8-5-4-6-9-16/h4-11,15H,3,12-14H2,1-2H3,(H,23,24)(H2,20,21,22).
What are the key properties of 2-[[ethylamino-[(2-methyl-3-thiophen-2-ylpropyl)amino]methylidene]amino]-N-phenylacetamide?
2-[[ethylamino-[(2-methyl-3-thiophen-2-ylpropyl)amino]methylidene]amino]-N-phenylacetamide has a molecular weight of 358.51 g/mol, XLogP of 3.12, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[(2-methyl-3-thiophen-2-ylpropyl)amino]methylidene]amino]-N-phenylacetamide is sourced from PubChem (CID 111673826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).