2-[[[1-(2-chlorophenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide

C19H29ClN4O2 — CID 110037839

IUPAC2-[[[1-(2-chlorophenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCC(N/C(=N/CC(=O)N(C)C)NCC1CCCCO1)c1ccccc1Cl
InChIInChI=1S/C19H29ClN4O2/c1-14(16-9-4-5-10-17(16)20)23-19(22-13-18(25)24(2)3)21-12-15-8-6-7-11-26-15/h4-5,9-10,14-15H,6-8,11-13H2,1-3H3,(H2,21,22,23)
InChIKeyUGGGXMJYJZRMGJ-UHFFFAOYSA-N
MW380.92 g/mol
LogP2.59
Rot. Bonds6

About 2-[[[1-(2-chlorophenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[1-(2-chlorophenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110037839) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 2-[[[1-(2-chlorophenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[1-(2-chlorophenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110037839
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC Name2-[[[1-(2-chlorophenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCC(N/C(=N/CC(=O)N(C)C)NCC1CCCCO1)c1ccccc1Cl
InChIInChI=1S/C19H29ClN4O2/c1-14(16-9-4-5-10-17(16)20)23-19(22-13-18(25)24(2)3)21-12-15-8-6-7-11-26-15/h4-5,9-10,14-15H,6-8,11-13H2,1-3H3,(H2,21,22,23)
InChIKeyUGGGXMJYJZRMGJ-UHFFFAOYSA-N
XLogP2.59
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 52.59
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-[[[1-(2,4-dichlorophenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110037829
2-[[[1-(2-bromophenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110037941
N,N-dimethyl-2-[[(1-naphthalen-2-ylethylamino)-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110037914
2-[[[1-(2,4-difluorophenyl)ethylamino]-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111542423
N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(oxan-2-ylmethylamino)methylidene]amino]acetamide
CID 110037263
2-[[[1-(2-chlorophenyl)ethylamino]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110037834
2-[[[1-(3-fluoro-4-methylphenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110045699
N,N-dimethyl-2-[[[1-[4-(2-methylpropyl)phenyl]ethylamino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide
CID 111541986
N,N-dimethyl-2-[[(2-methylpropylamino)-(oxan-2-ylmethylamino)methylidene]amino]acetamide
CID 111777829
2-[[[[1-(2-chlorophenyl)piperidin-3-yl]amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110041174
2-[[(1-methoxypropan-2-ylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111906865
N-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825178

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(2-chlorophenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[1-(2-chlorophenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110037839) is 2-[[[1-(2-chlorophenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[1-(2-chlorophenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[1-(2-chlorophenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide is CC(N/C(=N/CC(=O)N(C)C)NCC1CCCCO1)c1ccccc1Cl.
What is the InChIKey of 2-[[[1-(2-chlorophenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is UGGGXMJYJZRMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O2/c1-14(16-9-4-5-10-17(16)20)23-19(22-13-18(25)24(2)3)21-12-15-8-6-7-11-26-15/h4-5,9-10,14-15H,6-8,11-13H2,1-3H3,(H2,21,22,23).
What are the key properties of 2-[[[1-(2-chlorophenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[1-(2-chlorophenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 380.92 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(2-chlorophenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110037839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).