1-[4-(diethylamino)phenyl]-3-hexylurea

C17H29N3O — CID 71323969

IUPAC1-[4-(diethylamino)phenyl]-3-hexylurea
SMILESCCCCCCNC(=O)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C17H29N3O/c1-4-7-8-9-14-18-17(21)19-15-10-12-16(13-11-15)20(5-2)6-3/h10-13H,4-9,14H2,1-3H3,(H2,18,19,21)
InChIKeyWYQUAENCZWNYAU-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.23
Rot. Bonds9

About 1-[4-(diethylamino)phenyl]-3-hexylurea

1-[4-(diethylamino)phenyl]-3-hexylurea (PubChem CID 71323969) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-3-hexylurea.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-3-hexylurea
PubChem CID71323969
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[4-(diethylamino)phenyl]-3-hexylurea
SMILESCCCCCCNC(=O)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C17H29N3O/c1-4-7-8-9-14-18-17(21)19-15-10-12-16(13-11-15)20(5-2)6-3/h10-13H,4-9,14H2,1-3H3,(H2,18,19,21)
InChIKeyWYQUAENCZWNYAU-UHFFFAOYSA-N
XLogP4.23
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-undecylurea
CID 3711116
1-(4-fluorophenyl)-3-octadecylurea
CID 4518520
1-dodecyl-3-phenylurea
CID 3697946
1-[4-(diethylamino)-2-methylphenyl]-3-dodecylurea
CID 20826590
1-dodecyl-3-(4-methoxyphenyl)urea
CID 172727415
N-[4-(diethylamino)phenyl]undecanamide
CID 4594726
N-[4-(diethylamino)phenyl]dodecanamide;hydrochloride
CID 54599918
1-(4-methylsulfanylphenyl)-3-pentylurea
CID 21064485
1-octadecyl-3-[4-[[4-(octadecylamino)phenyl]methyl]phenyl]urea
CID 176858089
N-[4-(tetradecylcarbamoylamino)phenyl]benzamide
CID 24820448
1-[4-[hexyl(methyl)amino]butyl]-3-[4-[[4-[4-[hexyl(methyl)amino]butylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139955906
1-[4-[4-(4-hydroxyphenoxy)phenoxy]phenyl]-3-octadecylurea
CID 18183904

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-3-hexylurea?
The IUPAC name of 1-[4-(diethylamino)phenyl]-3-hexylurea (CID 71323969) is 1-[4-(diethylamino)phenyl]-3-hexylurea.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-3-hexylurea?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-3-hexylurea is CCCCCCNC(=O)Nc1ccc(N(CC)CC)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-3-hexylurea?
The InChIKey is WYQUAENCZWNYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-7-8-9-14-18-17(21)19-15-10-12-16(13-11-15)20(5-2)6-3/h10-13H,4-9,14H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[4-(diethylamino)phenyl]-3-hexylurea?
1-[4-(diethylamino)phenyl]-3-hexylurea has a molecular weight of 291.44 g/mol, XLogP of 4.23, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-3-hexylurea is sourced from PubChem (CID 71323969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).