1-(2-cyanoethyl)-3-methyl-1-[(4-phenylmethoxyphenyl)methylideneamino]urea

C19H20N4O2 — CID 54555643

IUPAC1-(2-cyanoethyl)-3-methyl-1-[(4-phenylmethoxyphenyl)methylideneamino]urea
SMILESCNC(=O)N(CCC#N)N=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H20N4O2/c1-21-19(24)23(13-5-12-20)22-14-16-8-10-18(11-9-16)25-15-17-6-3-2-4-7-17/h2-4,6-11,14H,5,13,15H2,1H3,(H,21,24)
InChIKeyZMZFBLNFJYQDOD-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.15
Rot. Bonds7

About 1-(2-cyanoethyl)-3-methyl-1-[(4-phenylmethoxyphenyl)methylideneamino]urea

1-(2-cyanoethyl)-3-methyl-1-[(4-phenylmethoxyphenyl)methylideneamino]urea (PubChem CID 54555643) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-3-methyl-1-[(4-phenylmethoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-(2-cyanoethyl)-3-methyl-1-[(4-phenylmethoxyphenyl)methylideneamino]urea
PubChem CID54555643
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-(2-cyanoethyl)-3-methyl-1-[(4-phenylmethoxyphenyl)methylideneamino]urea
SMILESCNC(=O)N(CCC#N)N=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H20N4O2/c1-21-19(24)23(13-5-12-20)22-14-16-8-10-18(11-9-16)25-15-17-6-3-2-4-7-17/h2-4,6-11,14H,5,13,15H2,1H3,(H,21,24)
InChIKeyZMZFBLNFJYQDOD-UHFFFAOYSA-N
XLogP3.15
TPSA77.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-cyanoethyl)-3-methyl-1-[(4-phenylmethoxyphenyl)methylideneamino]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

N-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide
CID 43911737
2-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 916420
(2S)-2-cyano-2-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126213918
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
(Z)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 17370059
methyl 4-[[4-[[benzyl(phenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 5053665
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
2-(4-methoxyphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6386524
1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea
CID 101171447
N,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide
CID 78796248
N-(2-cyanoethyl)-4-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 42414921
N-methyl-4-phenylmethoxybenzamide
CID 2996745

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-3-methyl-1-[(4-phenylmethoxyphenyl)methylideneamino]urea?
The IUPAC name of 1-(2-cyanoethyl)-3-methyl-1-[(4-phenylmethoxyphenyl)methylideneamino]urea (CID 54555643) is 1-(2-cyanoethyl)-3-methyl-1-[(4-phenylmethoxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-(2-cyanoethyl)-3-methyl-1-[(4-phenylmethoxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-(2-cyanoethyl)-3-methyl-1-[(4-phenylmethoxyphenyl)methylideneamino]urea is CNC(=O)N(CCC#N)N=Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(2-cyanoethyl)-3-methyl-1-[(4-phenylmethoxyphenyl)methylideneamino]urea?
The InChIKey is ZMZFBLNFJYQDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-21-19(24)23(13-5-12-20)22-14-16-8-10-18(11-9-16)25-15-17-6-3-2-4-7-17/h2-4,6-11,14H,5,13,15H2,1H3,(H,21,24).
What are the key properties of 1-(2-cyanoethyl)-3-methyl-1-[(4-phenylmethoxyphenyl)methylideneamino]urea?
1-(2-cyanoethyl)-3-methyl-1-[(4-phenylmethoxyphenyl)methylideneamino]urea has a molecular weight of 336.40 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-3-methyl-1-[(4-phenylmethoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 54555643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).