2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide

C20H32ClN5O — CID 111324022

IUPAC2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCC(c1ccccc1Cl)N(CC)CC
InChIInChI=1S/C20H32ClN5O/c1-4-22-20(24-14-19(27)25-15-11-12-15)23-13-18(26(5-2)6-3)16-9-7-8-10-17(16)21/h7-10,15,18H,4-6,11-14H2,1-3H3,(H,25,27)(H2,22,23,24)
InChIKeyXXQXMLOLCAJXFV-UHFFFAOYSA-N
MW393.96 g/mol
LogP2.56
Rot. Bonds10

About 2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide

2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide (PubChem CID 111324022) has the molecular formula C20H32ClN5O and a molecular weight of 393.96 g/mol. Its IUPAC name is 2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide
PubChem CID111324022
Molecular FormulaC20H32ClN5O
Molecular Weight393.96 g/mol
Exact Mass393.23
IUPAC Name2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCC(c1ccccc1Cl)N(CC)CC
InChIInChI=1S/C20H32ClN5O/c1-4-22-20(24-14-19(27)25-15-11-12-15)23-13-18(26(5-2)6-3)16-9-7-8-10-17(16)21/h7-10,15,18H,4-6,11-14H2,1-3H3,(H,25,27)(H2,22,23,24)
InChIKeyXXQXMLOLCAJXFV-UHFFFAOYSA-N
XLogP2.56
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 52.56
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

3-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111323957
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide
CID 34948840
1-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 111602310
1-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-ethyl-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111323921
3-[[N'-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylpropanamide
CID 111323980
N-cyclohexyl-2-[[ethylamino-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]acetamide
CID 111326708
N-tert-butyl-2-[[N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111323978
N-cyclopropyl-4-[[N'-[2-(diethylamino)-2-phenylethyl]-N-ethylcarbamimidoyl]amino]butanamide;hydroiodide
CID 111011060
N-cyclopropyl-2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111684649
N-cyclopropyl-2-[[ethylamino-(1-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110949777
N-cyclopropyl-2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]acetamide
CID 111678470
2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111011119

Frequently Asked Questions

What is the IUPAC name of 2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide (CID 111324022) is 2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide is CCN/C(=N\CC(=O)NC1CC1)NCC(c1ccccc1Cl)N(CC)CC.
What is the InChIKey of 2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide?
The InChIKey is XXQXMLOLCAJXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32ClN5O/c1-4-22-20(24-14-19(27)25-15-11-12-15)23-13-18(26(5-2)6-3)16-9-7-8-10-17(16)21/h7-10,15,18H,4-6,11-14H2,1-3H3,(H,25,27)(H2,22,23,24).
What are the key properties of 2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide?
2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide has a molecular weight of 393.96 g/mol, XLogP of 2.56, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide is sourced from PubChem (CID 111324022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).