1-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]-3-phenylurea

C19H23N3O3 — CID 129259360

IUPAC1-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]-3-phenylurea
SMILESCOc1ccc(CC/N=C(\C)NC(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C19H23N3O3/c1-14(21-19(23)22-16-7-5-4-6-8-16)20-12-11-15-9-10-17(24-2)18(13-15)25-3/h4-10,13H,11-12H2,1-3H3,(H2,20,21,22,23)
InChIKeyUDZNHENWHRPGMT-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.49
Rot. Bonds6

About 1-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]-3-phenylurea

1-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]-3-phenylurea (PubChem CID 129259360) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]-3-phenylurea.

Molecular Properties

Compound Name1-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]-3-phenylurea
PubChem CID129259360
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]-3-phenylurea
SMILESCOc1ccc(CC/N=C(\C)NC(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C19H23N3O3/c1-14(21-19(23)22-16-7-5-4-6-8-16)20-12-11-15-9-10-17(24-2)18(13-15)25-3/h4-10,13H,11-12H2,1-3H3,(H2,20,21,22,23)
InChIKeyUDZNHENWHRPGMT-UHFFFAOYSA-N
XLogP3.49
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea
CID 48559749
2-[2-(3-methoxy-4-methylphenyl)ethyl]-1-phenylguanidine
CID 111459304
N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine
CID 10857049
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-2-(phenylcarbamoylamino)propanamide
CID 42704104
1-[(E)-4-(4-hydroxy-3-methoxyphenyl)butan-2-ylideneamino]-3-phenylurea
CID 139088473
N-[4-[2-[[amino-(3,4-dimethoxyanilino)methylidene]amino]ethyl]phenyl]acetamide
CID 111086241
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
N-[4-[2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111214640
(2R)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanimidamide
CID 6341030
benzyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate
CID 8773671
6-[2-(3,4-dimethoxyphenyl)ethylimino]-2-hydroxy-4,4-dimethyl-N-phenylcyclohexene-1-carboxamide
CID 135402306
4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoic acid
CID 108891296

Frequently Asked Questions

What is the IUPAC name of 1-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]-3-phenylurea?
The IUPAC name of 1-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]-3-phenylurea (CID 129259360) is 1-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]-3-phenylurea.
What is the SMILES notation for 1-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]-3-phenylurea?
The canonical SMILES for 1-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]-3-phenylurea is COc1ccc(CC/N=C(\C)NC(=O)Nc2ccccc2)cc1OC.
What is the InChIKey of 1-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]-3-phenylurea?
The InChIKey is UDZNHENWHRPGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14(21-19(23)22-16-7-5-4-6-8-16)20-12-11-15-9-10-17(24-2)18(13-15)25-3/h4-10,13H,11-12H2,1-3H3,(H2,20,21,22,23).
What are the key properties of 1-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]-3-phenylurea?
1-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]-3-phenylurea has a molecular weight of 341.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]-3-phenylurea is sourced from PubChem (CID 129259360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).