ethyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate

C14H21N3O3 — CID 135401245

IUPACethyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1ccc(N(CC)CC)cc1O
InChIInChI=1S/C14H21N3O3/c1-4-17(5-2)12-8-7-11(13(18)9-12)10-15-16-14(19)20-6-3/h7-10,18H,4-6H2,1-3H3,(H,16,19)/b15-10+
InChIKeyKNYPXNKCVVCJLW-XNTDXEJSSA-N
MW279.34 g/mol
LogP2.32
Rot. Bonds6

About ethyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate

ethyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate (PubChem CID 135401245) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate
PubChem CID135401245
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nameethyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1ccc(N(CC)CC)cc1O
InChIInChI=1S/C14H21N3O3/c1-4-17(5-2)12-8-7-11(13(18)9-12)10-15-16-14(19)20-6-3/h7-10,18H,4-6H2,1-3H3,(H,16,19)/b15-10+
InChIKeyKNYPXNKCVVCJLW-XNTDXEJSSA-N
XLogP2.32
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate?
The IUPAC name of ethyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate (CID 135401245) is ethyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate is CCOC(=O)N/N=C/c1ccc(N(CC)CC)cc1O.
What is the InChIKey of ethyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate?
The InChIKey is KNYPXNKCVVCJLW-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-17(5-2)12-8-7-11(13(18)9-12)10-15-16-14(19)20-6-3/h7-10,18H,4-6H2,1-3H3,(H,16,19)/b15-10+.
What are the key properties of ethyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate?
ethyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate has a molecular weight of 279.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate is sourced from PubChem (CID 135401245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).