1-(3-chlorophenyl)-3-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]urea

C19H22ClN3O3 — CID 110534056

IUPAC1-(3-chlorophenyl)-3-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]urea
SMILESCCOc1cc(/C=N\NC(=O)Nc2cccc(Cl)c2)ccc1OC(C)C
InChIInChI=1S/C19H22ClN3O3/c1-4-25-18-10-14(8-9-17(18)26-13(2)3)12-21-23-19(24)22-16-7-5-6-15(20)11-16/h5-13H,4H2,1-3H3,(H2,22,23,24)/b21-12-
InChIKeyRUCXBXAGUBZJJO-MTJSOVHGSA-N
MW375.86 g/mol
LogP4.68
Rot. Bonds7

About 1-(3-chlorophenyl)-3-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]urea

1-(3-chlorophenyl)-3-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]urea (PubChem CID 110534056) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]urea
PubChem CID110534056
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name1-(3-chlorophenyl)-3-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]urea
SMILESCCOc1cc(/C=N\NC(=O)Nc2cccc(Cl)c2)ccc1OC(C)C
InChIInChI=1S/C19H22ClN3O3/c1-4-25-18-10-14(8-9-17(18)26-13(2)3)12-21-23-19(24)22-16-7-5-6-15(20)11-16/h5-13H,4H2,1-3H3,(H2,22,23,24)/b21-12-
InChIKeyRUCXBXAGUBZJJO-MTJSOVHGSA-N
XLogP4.68
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.68
H-Bond Donors ≤ 52
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'}

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Related Compounds

1-(3-chlorophenyl)-3-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]urea
CID 110536999
N-(3-chlorophenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 4135098
1-(3-chlorophenyl)-3-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]urea
CID 110533106
1-(4-chlorophenyl)-3-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]urea
CID 110535990
3-chloro-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide
CID 9174936
1-(3-chlorophenyl)-3-[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 110537001
N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]pentanamide
CID 110506843
1-(3-chlorophenyl)-3-[(Z)-(3-propoxyphenyl)methylideneamino]urea
CID 110536997
N-(3-chlorophenyl)-N'-[(Z)-[3-ethoxy-4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126174886
N-(4-ethoxyphenyl)-N'-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide
CID 4272278
1-(3-chlorophenyl)-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]urea
CID 19172582
N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]oxamide
CID 126265658

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]urea (CID 110534056) is 1-(3-chlorophenyl)-3-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]urea is CCOc1cc(/C=N\NC(=O)Nc2cccc(Cl)c2)ccc1OC(C)C.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]urea?
The InChIKey is RUCXBXAGUBZJJO-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-4-25-18-10-14(8-9-17(18)26-13(2)3)12-21-23-19(24)22-16-7-5-6-15(20)11-16/h5-13H,4H2,1-3H3,(H2,22,23,24)/b21-12-.
What are the key properties of 1-(3-chlorophenyl)-3-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]urea?
1-(3-chlorophenyl)-3-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]urea has a molecular weight of 375.86 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]urea is sourced from PubChem (CID 110534056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).