[3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea

C16H19N3O2 — CID 43744617

IUPAC[3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea
SMILESCOc1ccc(C(C)Nc2cccc(NC(N)=O)c2)cc1
InChIInChI=1S/C16H19N3O2/c1-11(12-6-8-15(21-2)9-7-12)18-13-4-3-5-14(10-13)19-16(17)20/h3-11,18H,1-2H3,(H3,17,19,20)
InChIKeyMYVPPMDQYKHMEO-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.36
Rot. Bonds5

About [3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea

[3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea (PubChem CID 43744617) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea.

Molecular Properties

Compound Name[3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea
PubChem CID43744617
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea
SMILESCOc1ccc(C(C)Nc2cccc(NC(N)=O)c2)cc1
InChIInChI=1S/C16H19N3O2/c1-11(12-6-8-15(21-2)9-7-12)18-13-4-3-5-14(10-13)19-16(17)20/h3-11,18H,1-2H3,(H3,17,19,20)
InChIKeyMYVPPMDQYKHMEO-UHFFFAOYSA-N
XLogP3.36
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[1-(4-chlorophenyl)ethylamino]phenyl]urea
CID 43744548
3-[1-(4-methoxyphenyl)ethylamino]phenol
CID 43206982
[4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea
CID 43784748
methyl N-[3-(1-phenylethylamino)phenyl]carbamate
CID 60942216
2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 66195282
N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472
N-[3-[1-(4-iodophenyl)ethylamino]phenyl]acetamide
CID 43761396
[3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea
CID 43790841
[4-[1-(methoxyamino)ethyl]phenyl]urea
CID 82706415
2-fluoro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43727966
2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43736310
N-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510255

Frequently Asked Questions

What is the IUPAC name of [3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea?
The IUPAC name of [3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea (CID 43744617) is [3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea.
What is the SMILES notation for [3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea?
The canonical SMILES for [3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea is COc1ccc(C(C)Nc2cccc(NC(N)=O)c2)cc1.
What is the InChIKey of [3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea?
The InChIKey is MYVPPMDQYKHMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(12-6-8-15(21-2)9-7-12)18-13-4-3-5-14(10-13)19-16(17)20/h3-11,18H,1-2H3,(H3,17,19,20).
What are the key properties of [3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea?
[3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea has a molecular weight of 285.35 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea is sourced from PubChem (CID 43744617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).