1-(dimethylamino)-3-[2-(3-methoxyphenoxy)phenyl]urea

C16H19N3O3 — CID 86186897

IUPAC1-(dimethylamino)-3-[2-(3-methoxyphenoxy)phenyl]urea
SMILESCOc1cccc(Oc2ccccc2NC(=O)NN(C)C)c1
InChIInChI=1S/C16H19N3O3/c1-19(2)18-16(20)17-14-9-4-5-10-15(14)22-13-8-6-7-12(11-13)21-3/h4-11H,1-3H3,(H2,17,18,20)
InChIKeyPHCCQUXRXKLRMB-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.09
Rot. Bonds5

About 1-(dimethylamino)-3-[2-(3-methoxyphenoxy)phenyl]urea

1-(dimethylamino)-3-[2-(3-methoxyphenoxy)phenyl]urea (PubChem CID 86186897) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[2-(3-methoxyphenoxy)phenyl]urea.

Molecular Properties

Compound Name1-(dimethylamino)-3-[2-(3-methoxyphenoxy)phenyl]urea
PubChem CID86186897
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-(dimethylamino)-3-[2-(3-methoxyphenoxy)phenyl]urea
SMILESCOc1cccc(Oc2ccccc2NC(=O)NN(C)C)c1
InChIInChI=1S/C16H19N3O3/c1-19(2)18-16(20)17-14-9-4-5-10-15(14)22-13-8-6-7-12(11-13)21-3/h4-11H,1-3H3,(H2,17,18,20)
InChIKeyPHCCQUXRXKLRMB-UHFFFAOYSA-N
XLogP3.09
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 167220736
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N-[2-[2-(3-methoxyphenoxy)anilino]-2-oxoethyl]-4-phenylbenzamide
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CID 14020526
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(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
[3-[(2-methoxyphenyl)carbamoyloxy]phenyl] N-(2-methoxyphenyl)carbamate
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methyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate
CID 108992330
1-(methoxymethyl)-3-(2-phenoxyphenyl)urea
CID 110676062
N-hydroxy-3-[2-(3-methoxyphenoxy)phenyl]prop-2-enamide
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CID 42093263

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[2-(3-methoxyphenoxy)phenyl]urea?
The IUPAC name of 1-(dimethylamino)-3-[2-(3-methoxyphenoxy)phenyl]urea (CID 86186897) is 1-(dimethylamino)-3-[2-(3-methoxyphenoxy)phenyl]urea.
What is the SMILES notation for 1-(dimethylamino)-3-[2-(3-methoxyphenoxy)phenyl]urea?
The canonical SMILES for 1-(dimethylamino)-3-[2-(3-methoxyphenoxy)phenyl]urea is COc1cccc(Oc2ccccc2NC(=O)NN(C)C)c1.
What is the InChIKey of 1-(dimethylamino)-3-[2-(3-methoxyphenoxy)phenyl]urea?
The InChIKey is PHCCQUXRXKLRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-19(2)18-16(20)17-14-9-4-5-10-15(14)22-13-8-6-7-12(11-13)21-3/h4-11H,1-3H3,(H2,17,18,20).
What are the key properties of 1-(dimethylamino)-3-[2-(3-methoxyphenoxy)phenyl]urea?
1-(dimethylamino)-3-[2-(3-methoxyphenoxy)phenyl]urea has a molecular weight of 301.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[2-(3-methoxyphenoxy)phenyl]urea is sourced from PubChem (CID 86186897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).