1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea

C21H21N3O2 — CID 926829

IUPAC1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea
SMILESCCOc1ccc2ccccc2c1C=NNC(=O)Nc1ccccc1C
InChIInChI=1S/C21H21N3O2/c1-3-26-20-13-12-16-9-5-6-10-17(16)18(20)14-22-24-21(25)23-19-11-7-4-8-15(19)2/h4-14H,3H2,1-2H3,(H2,23,24,25)
InChIKeyKEWDPQUYELGBBO-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.70
Rot. Bonds5

About 1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea

1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea (PubChem CID 926829) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea
PubChem CID926829
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea
SMILESCCOc1ccc2ccccc2c1C=NNC(=O)Nc1ccccc1C
InChIInChI=1S/C21H21N3O2/c1-3-26-20-13-12-16-9-5-6-10-17(16)18(20)14-22-24-21(25)23-19-11-7-4-8-15(19)2/h4-14H,3H2,1-2H3,(H2,23,24,25)
InChIKeyKEWDPQUYELGBBO-UHFFFAOYSA-N
XLogP4.70
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea 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

1-[[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-(2-methylphenyl)urea
CID 5240858
N-(2,3-dimethylphenyl)-N'-[(2-ethoxynaphthalen-1-yl)methylideneamino]butanediamide
CID 4988186
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 5334451
(2S)-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 871144
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-fluorophenyl)oxamide
CID 8932160
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 8932141
N-(3,4-dimethylphenyl)-N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]oxamide
CID 8932085
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 9359476
1-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 5148773
1-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
CID 3303187
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 8932181
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 19208863

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea (CID 926829) is 1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea is CCOc1ccc2ccccc2c1C=NNC(=O)Nc1ccccc1C.
What is the InChIKey of 1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea?
The InChIKey is KEWDPQUYELGBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-26-20-13-12-16-9-5-6-10-17(16)18(20)14-22-24-21(25)23-19-11-7-4-8-15(19)2/h4-14H,3H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea?
1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea has a molecular weight of 347.42 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea is sourced from PubChem (CID 926829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).