N-[2-[1-(dimethylamino)ethylideneamino]phenyl]-2-ethoxyacetamide

C14H21N3O2 — CID 21446224

IUPACN-[2-[1-(dimethylamino)ethylideneamino]phenyl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ccccc1/N=C(\C)N(C)C
InChIInChI=1S/C14H21N3O2/c1-5-19-10-14(18)16-13-9-7-6-8-12(13)15-11(2)17(3)4/h6-9H,5,10H2,1-4H3,(H,16,18)/b15-11+
InChIKeyVSFXJYJKIPHFMR-RVDMUPIBSA-N
MW263.34 g/mol
LogP2.27
Rot. Bonds5

About N-[2-[1-(dimethylamino)ethylideneamino]phenyl]-2-ethoxyacetamide

N-[2-[1-(dimethylamino)ethylideneamino]phenyl]-2-ethoxyacetamide (PubChem CID 21446224) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[2-[1-(dimethylamino)ethylideneamino]phenyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[2-[1-(dimethylamino)ethylideneamino]phenyl]-2-ethoxyacetamide
PubChem CID21446224
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[2-[1-(dimethylamino)ethylideneamino]phenyl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ccccc1/N=C(\C)N(C)C
InChIInChI=1S/C14H21N3O2/c1-5-19-10-14(18)16-13-9-7-6-8-12(13)15-11(2)17(3)4/h6-9H,5,10H2,1-4H3,(H,16,18)/b15-11+
InChIKeyVSFXJYJKIPHFMR-RVDMUPIBSA-N
XLogP2.27
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
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-but-2-enoxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide
CID 54234843
2-butan-2-yloxy-N-[2-[1-(dimethylamino)ethylideneamino]phenyl]acetamide
CID 21446226
N-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide
CID 60763631
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 43601366
N-[2-(dimethylamino)-3-pyridinyl]-2-ethoxyacetamide
CID 60778535
N-[2-[1-[bis(2-chloroethyl)amino]ethyl]phenyl]-2-ethoxyacetamide
CID 23623376
N-(5-acetamido-2-methylphenyl)-2-ethoxyacetamide
CID 61216429
N-[2-[(2-bromoethylamino)methyl]phenyl]-2-ethoxyacetamide
CID 23621114
N-(4-aminoquinolin-3-yl)-2-ethoxyacetamide
CID 122650155
2-[2-[2-(dimethylamino)anilino]-2-oxoethoxy]acetic acid
CID 61326887
[2-(2-cyanoanilino)-2-oxoethyl] 2-ethoxyacetate
CID 2564011
2-ethoxy-N-isoquinolin-5-ylacetamide
CID 60719162

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(dimethylamino)ethylideneamino]phenyl]-2-ethoxyacetamide?
The IUPAC name of N-[2-[1-(dimethylamino)ethylideneamino]phenyl]-2-ethoxyacetamide (CID 21446224) is N-[2-[1-(dimethylamino)ethylideneamino]phenyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[2-[1-(dimethylamino)ethylideneamino]phenyl]-2-ethoxyacetamide?
The canonical SMILES for N-[2-[1-(dimethylamino)ethylideneamino]phenyl]-2-ethoxyacetamide is CCOCC(=O)Nc1ccccc1/N=C(\C)N(C)C.
What is the InChIKey of N-[2-[1-(dimethylamino)ethylideneamino]phenyl]-2-ethoxyacetamide?
The InChIKey is VSFXJYJKIPHFMR-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-5-19-10-14(18)16-13-9-7-6-8-12(13)15-11(2)17(3)4/h6-9H,5,10H2,1-4H3,(H,16,18)/b15-11+.
What are the key properties of N-[2-[1-(dimethylamino)ethylideneamino]phenyl]-2-ethoxyacetamide?
N-[2-[1-(dimethylamino)ethylideneamino]phenyl]-2-ethoxyacetamide has a molecular weight of 263.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(dimethylamino)ethylideneamino]phenyl]-2-ethoxyacetamide is sourced from PubChem (CID 21446224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).