2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide

C19H33N5O — CID 111011119

IUPAC2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCN/C(=N\CC(=O)N(C)C)NCC(c1ccccc1)N(CC)CC
InChIInChI=1S/C19H33N5O/c1-6-20-19(22-15-18(25)23(4)5)21-14-17(24(7-2)8-3)16-12-10-9-11-13-16/h9-13,17H,6-8,14-15H2,1-5H3,(H2,20,21,22)
InChIKeyXFEMVQWIHPMPAN-UHFFFAOYSA-N
MW347.51 g/mol
LogP1.71
Rot. Bonds9

About 2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111011119) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111011119
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCN/C(=N\CC(=O)N(C)C)NCC(c1ccccc1)N(CC)CC
InChIInChI=1S/C19H33N5O/c1-6-20-19(22-15-18(25)23(4)5)21-14-17(24(7-2)8-3)16-12-10-9-11-13-16/h9-13,17H,6-8,14-15H2,1-5H3,(H2,20,21,22)
InChIKeyXFEMVQWIHPMPAN-UHFFFAOYSA-N
XLogP1.71
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.71
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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Related Compounds

2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111011012
4-[[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111011280
2-[[[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365522
2-[[[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111364759
2-[[ethylamino-[2-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364538
2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111011215
1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(3-hydroxy-2-methylpropyl)guanidine
CID 111011337
2-[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111659677
1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine
CID 111965451
2-[[(butan-2-ylamino)-(2,2-diphenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111545375
1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(1,2-oxazol-3-ylmethyl)guanidine
CID 111964105
1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[[2-(methanesulfonamido)phenyl]methyl]guanidine
CID 111010781

Frequently Asked Questions

What is the IUPAC name of 2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111011119) is 2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide is CCN/C(=N\CC(=O)N(C)C)NCC(c1ccccc1)N(CC)CC.
What is the InChIKey of 2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is XFEMVQWIHPMPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-6-20-19(22-15-18(25)23(4)5)21-14-17(24(7-2)8-3)16-12-10-9-11-13-16/h9-13,17H,6-8,14-15H2,1-5H3,(H2,20,21,22).
What are the key properties of 2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 347.51 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111011119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).