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

C13H19N3O3 — CID 135490324

IUPACmethyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate
SMILESCCN(CC)c1ccc(/C=N/NC(=O)OC)c(O)c1
InChIInChI=1S/C13H19N3O3/c1-4-16(5-2)11-7-6-10(12(17)8-11)9-14-15-13(18)19-3/h6-9,17H,4-5H2,1-3H3,(H,15,18)/b14-9+
InChIKeyGMXXAMMBJIKULY-NTEUORMPSA-N
MW265.31 g/mol
LogP1.93
Rot. Bonds5

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

methyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate (PubChem CID 135490324) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate
PubChem CID135490324
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate
SMILESCCN(CC)c1ccc(/C=N/NC(=O)OC)c(O)c1
InChIInChI=1S/C13H19N3O3/c1-4-16(5-2)11-7-6-10(12(17)8-11)9-14-15-13(18)19-3/h6-9,17H,4-5H2,1-3H3,(H,15,18)/b14-9+
InChIKeyGMXXAMMBJIKULY-NTEUORMPSA-N
XLogP1.93
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.93
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'}

Analyze methyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]guanidine
CID 135433199
[[(E)-[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]thiourea
CID 135435710
5-(Diethylamino)-2-[(phenylimino)methyl]phenol
CID 641174
Benzylidenehydrazine derivative, 13
CID 135922678
N'-[(E)-[4-(Diethylamino)-2-hydroxyphenyl]methylidene]ethoxycarbohydrazide
CID 135401245
5-(diethylamino)-2-[(E)-morpholin-4-yliminomethyl]phenol
CID 135401271
N-benzyl-4-{2-[4-(diethylamino)-2-hydroxybenzylidene]hydrazino}-4-oxobutanamide
CID 135401468
1-[[(E)-[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]-3-methylthiourea
CID 135519865
5-(diethylamino)-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 135521597
5-(diethylamino)-2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol
CID 135614214
5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenol
CID 135401273
N'-[4-(diethylamino)-2-hydroxybenzylidene]benzohydrazide
CID 135472455

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate?
The IUPAC name of methyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate (CID 135490324) is methyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate?
The canonical SMILES for methyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate is CCN(CC)c1ccc(/C=N/NC(=O)OC)c(O)c1.
What is the InChIKey of methyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate?
The InChIKey is GMXXAMMBJIKULY-NTEUORMPSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-16(5-2)11-7-6-10(12(17)8-11)9-14-15-13(18)19-3/h6-9,17H,4-5H2,1-3H3,(H,15,18)/b14-9+.
What are the key properties of methyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate?
methyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate has a molecular weight of 265.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]carbamate is sourced from PubChem (CID 135490324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).