[(E)-[4-(diethylamino)phenyl]methylideneamino] acetate

C13H18N2O2 — CID 87078724

IUPAC[(E)-[4-(diethylamino)phenyl]methylideneamino] acetate
SMILESCCN(CC)c1ccc(/C=N/OC(C)=O)cc1
InChIInChI=1S/C13H18N2O2/c1-4-15(5-2)13-8-6-12(7-9-13)10-14-17-11(3)16/h6-10H,4-5H2,1-3H3/b14-10+
InChIKeyKTJNJALVBXWVDJ-GXDHUFHOSA-N
MW234.30 g/mol
LogP2.43
Rot. Bonds5

About [(E)-[4-(diethylamino)phenyl]methylideneamino] acetate

[(E)-[4-(diethylamino)phenyl]methylideneamino] acetate (PubChem CID 87078724) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [(E)-[4-(diethylamino)phenyl]methylideneamino] acetate.

Molecular Properties

Compound Name[(E)-[4-(diethylamino)phenyl]methylideneamino] acetate
PubChem CID87078724
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[(E)-[4-(diethylamino)phenyl]methylideneamino] acetate
SMILESCCN(CC)c1ccc(/C=N/OC(C)=O)cc1
InChIInChI=1S/C13H18N2O2/c1-4-15(5-2)13-8-6-12(7-9-13)10-14-17-11(3)16/h6-10H,4-5H2,1-3H3/b14-10+
InChIKeyKTJNJALVBXWVDJ-GXDHUFHOSA-N
XLogP2.43
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4-chlorophenyl)methylideneamino] acetate
CID 57215525
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
ethyl N-[(E)-[4-(diethylamino)phenyl]methylideneamino]carbamate
CID 6861626
[(E)-[4-[[4-[4-(N-phenylanilino)benzoyl]phenyl]methoxy]phenyl]methylideneamino] acetate
CID 155779448
4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 164880526
1,3-bis[[4-(diethylamino)phenyl]methylideneamino]thiourea
CID 5125504
N-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 2330939
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-methoxybenzamide
CID 5372104
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
N-[[4-(diethylamino)phenyl]methylideneamino]octanamide
CID 3333467
[2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 54599008

Frequently Asked Questions

What is the IUPAC name of [(E)-[4-(diethylamino)phenyl]methylideneamino] acetate?
The IUPAC name of [(E)-[4-(diethylamino)phenyl]methylideneamino] acetate (CID 87078724) is [(E)-[4-(diethylamino)phenyl]methylideneamino] acetate.
What is the SMILES notation for [(E)-[4-(diethylamino)phenyl]methylideneamino] acetate?
The canonical SMILES for [(E)-[4-(diethylamino)phenyl]methylideneamino] acetate is CCN(CC)c1ccc(/C=N/OC(C)=O)cc1.
What is the InChIKey of [(E)-[4-(diethylamino)phenyl]methylideneamino] acetate?
The InChIKey is KTJNJALVBXWVDJ-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-15(5-2)13-8-6-12(7-9-13)10-14-17-11(3)16/h6-10H,4-5H2,1-3H3/b14-10+.
What are the key properties of [(E)-[4-(diethylamino)phenyl]methylideneamino] acetate?
[(E)-[4-(diethylamino)phenyl]methylideneamino] acetate has a molecular weight of 234.30 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[4-(diethylamino)phenyl]methylideneamino] acetate is sourced from PubChem (CID 87078724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).