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

C18H23N3O2 — CID 108866363

IUPAC1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
SMILESCCN(CC)c1ccc(NC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H23N3O2/c1-4-21(5-2)16-10-6-14(7-11-16)19-18(22)20-15-8-12-17(23-3)13-9-15/h6-13H,4-5H2,1-3H3,(H2,19,20,22)
InChIKeyUGGAUWJOKGPLTB-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.19
Rot. Bonds6

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

1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea (PubChem CID 108866363) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
PubChem CID108866363
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
SMILESCCN(CC)c1ccc(NC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H23N3O2/c1-4-21(5-2)16-10-6-14(7-11-16)19-18(22)20-15-8-12-17(23-3)13-9-15/h6-13H,4-5H2,1-3H3,(H2,19,20,22)
InChIKeyUGGAUWJOKGPLTB-UHFFFAOYSA-N
XLogP4.19
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(diethylamino)phenyl]-3-(3,5-dimethoxyphenyl)urea
CID 108869515
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
N'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108507482
N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide
CID 134218618
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate
CID 55417663
1-(diethylcarbamothioyl)-3-(4-methoxyphenyl)urea
CID 3763474
1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890846
2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide
CID 55483246
(E)-2-cyano-3-[4-(diethylamino)phenyl]-N-(4-methoxyphenyl)prop-2-enamide
CID 682401
N-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508699

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea (CID 108866363) is 1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea is CCN(CC)c1ccc(NC(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea?
The InChIKey is UGGAUWJOKGPLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-21(5-2)16-10-6-14(7-11-16)19-18(22)20-15-8-12-17(23-3)13-9-15/h6-13H,4-5H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea?
1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea has a molecular weight of 313.40 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 108866363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).