2-[[[1-(3-chlorophenyl)ethylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide

C16H25ClN4O — CID 119139963

IUPAC2-[[[1-(3-chlorophenyl)ethylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCC(C)N/C(=N\CC(=O)N(C)C)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C16H25ClN4O/c1-11(2)19-16(18-10-15(22)21(4)5)20-12(3)13-7-6-8-14(17)9-13/h6-9,11-12H,10H2,1-5H3,(H2,18,19,20)
InChIKeyXJQIPWVTNNNETF-UHFFFAOYSA-N
MW324.86 g/mol
LogP2.43
Rot. Bonds5

About 2-[[[1-(3-chlorophenyl)ethylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[1-(3-chlorophenyl)ethylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 119139963) has the molecular formula C16H25ClN4O and a molecular weight of 324.86 g/mol. Its IUPAC name is 2-[[[1-(3-chlorophenyl)ethylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[1-(3-chlorophenyl)ethylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID119139963
Molecular FormulaC16H25ClN4O
Molecular Weight324.86 g/mol
Exact Mass324.17
IUPAC Name2-[[[1-(3-chlorophenyl)ethylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCC(C)N/C(=N\CC(=O)N(C)C)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C16H25ClN4O/c1-11(2)19-16(18-10-15(22)21(4)5)20-12(3)13-7-6-8-14(17)9-13/h6-9,11-12H,10H2,1-5H3,(H2,18,19,20)
InChIKeyXJQIPWVTNNNETF-UHFFFAOYSA-N
XLogP2.43
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 52.43
H-Bond Donors ≤ 52
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

2-[[(butan-2-ylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111492138
2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8913312
2-[[[[2-(3-chlorophenyl)-2-methoxyethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111501270
N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60640928
N,N-dimethyl-2-[[propylamino-[1-[3-(trifluoromethyl)phenyl]ethylamino]methylidene]amino]acetamide;hydroiodide
CID 110037972
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-methyl-N-propan-2-ylacetamide
CID 81372685
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
N,N-dimethyl-2-[[(1-phenylethylamino)-(2-phenylethylamino)methylidene]amino]acetamide
CID 111492402
2-[[[4-(3-chlorophenyl)piperazin-1-yl]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119139890
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307609
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307603

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(3-chlorophenyl)ethylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[1-(3-chlorophenyl)ethylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide (CID 119139963) is 2-[[[1-(3-chlorophenyl)ethylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[1-(3-chlorophenyl)ethylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[1-(3-chlorophenyl)ethylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide is CC(C)N/C(=N\CC(=O)N(C)C)NC(C)c1cccc(Cl)c1.
What is the InChIKey of 2-[[[1-(3-chlorophenyl)ethylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is XJQIPWVTNNNETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O/c1-11(2)19-16(18-10-15(22)21(4)5)20-12(3)13-7-6-8-14(17)9-13/h6-9,11-12H,10H2,1-5H3,(H2,18,19,20).
What are the key properties of 2-[[[1-(3-chlorophenyl)ethylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[1-(3-chlorophenyl)ethylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 324.86 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(3-chlorophenyl)ethylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 119139963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).