1-[4-(diethylamino)phenyl]-3-(3,5-dimethoxyphenyl)urea

C19H25N3O3 — CID 108869515

IUPAC1-[4-(diethylamino)phenyl]-3-(3,5-dimethoxyphenyl)urea
SMILESCCN(CC)c1ccc(NC(=O)Nc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C19H25N3O3/c1-5-22(6-2)16-9-7-14(8-10-16)20-19(23)21-15-11-17(24-3)13-18(12-15)25-4/h7-13H,5-6H2,1-4H3,(H2,20,21,23)
InChIKeyFXHFKGREKAEMRZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.19
Rot. Bonds7

About 1-[4-(diethylamino)phenyl]-3-(3,5-dimethoxyphenyl)urea

1-[4-(diethylamino)phenyl]-3-(3,5-dimethoxyphenyl)urea (PubChem CID 108869515) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-3-(3,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-3-(3,5-dimethoxyphenyl)urea
PubChem CID108869515
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[4-(diethylamino)phenyl]-3-(3,5-dimethoxyphenyl)urea
SMILESCCN(CC)c1ccc(NC(=O)Nc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C19H25N3O3/c1-5-22(6-2)16-9-7-14(8-10-16)20-19(23)21-15-11-17(24-3)13-18(12-15)25-4/h7-13H,5-6H2,1-4H3,(H2,20,21,23)
InChIKeyFXHFKGREKAEMRZ-UHFFFAOYSA-N
XLogP4.19
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-methoxyphenyl)urea
CID 108866363
N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108869362
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(diethylamino)benzoate
CID 2515065
1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 5080990
1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea
CID 71323967
1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea
CID 3383505
1-[4-(diethylamino)phenyl]-3-(2,4-difluorophenyl)urea
CID 970808
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508699
1-(3-chloro-4-fluorophenyl)-3-[4-(diethylamino)phenyl]urea
CID 108991877

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-3-(3,5-dimethoxyphenyl)urea?
The IUPAC name of 1-[4-(diethylamino)phenyl]-3-(3,5-dimethoxyphenyl)urea (CID 108869515) is 1-[4-(diethylamino)phenyl]-3-(3,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-3-(3,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-3-(3,5-dimethoxyphenyl)urea is CCN(CC)c1ccc(NC(=O)Nc2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-3-(3,5-dimethoxyphenyl)urea?
The InChIKey is FXHFKGREKAEMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-5-22(6-2)16-9-7-14(8-10-16)20-19(23)21-15-11-17(24-3)13-18(12-15)25-4/h7-13H,5-6H2,1-4H3,(H2,20,21,23).
What are the key properties of 1-[4-(diethylamino)phenyl]-3-(3,5-dimethoxyphenyl)urea?
1-[4-(diethylamino)phenyl]-3-(3,5-dimethoxyphenyl)urea has a molecular weight of 343.43 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-3-(3,5-dimethoxyphenyl)urea is sourced from PubChem (CID 108869515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).