1-(1H-indol-6-yl)-3-pentylurea

C14H19N3O — CID 155412349

IUPAC1-(1H-indol-6-yl)-3-pentylurea
SMILESCCCCCNC(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C14H19N3O/c1-2-3-4-8-16-14(18)17-12-6-5-11-7-9-15-13(11)10-12/h5-7,9-10,15H,2-4,8H2,1H3,(H2,16,17,18)
InChIKeyPDIMNSAXCSCBBO-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.48
Rot. Bonds5

About 1-(1H-indol-6-yl)-3-pentylurea

1-(1H-indol-6-yl)-3-pentylurea (PubChem CID 155412349) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(1H-indol-6-yl)-3-pentylurea.

Molecular Properties

Compound Name1-(1H-indol-6-yl)-3-pentylurea
PubChem CID155412349
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(1H-indol-6-yl)-3-pentylurea
SMILESCCCCCNC(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C14H19N3O/c1-2-3-4-8-16-14(18)17-12-6-5-11-7-9-15-13(11)10-12/h5-7,9-10,15H,2-4,8H2,1H3,(H2,16,17,18)
InChIKeyPDIMNSAXCSCBBO-UHFFFAOYSA-N
XLogP3.48
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1H-indol-6-yl)-3-(4-octylphenyl)urea
CID 155412325
1-(2-cyclopropylethyl)-3-(1H-indol-6-yl)urea
CID 155411868
1-(3H-benzimidazol-5-yl)-3-dodecylurea
CID 58973015
1-(4-fluorophenyl)-3-octadecylurea
CID 4518520
3-fluoro-N-[2-(1H-indol-6-ylcarbamoylamino)ethyl]-4-methylbenzamide
CID 166229477
1-(1,3-benzodioxol-5-yl)-3-hexylurea
CID 4107112
1-(2-ethylphenyl)-3-(1H-indol-6-yl)urea
CID 17181458
1-dodecyl-3-(4-methoxyphenyl)urea
CID 172727415
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
1-dodecyl-3-phenylurea
CID 3697946
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
1-dodecyl-3-(1H-inden-5-yl)urea
CID 161336230

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-6-yl)-3-pentylurea?
The IUPAC name of 1-(1H-indol-6-yl)-3-pentylurea (CID 155412349) is 1-(1H-indol-6-yl)-3-pentylurea.
What is the SMILES notation for 1-(1H-indol-6-yl)-3-pentylurea?
The canonical SMILES for 1-(1H-indol-6-yl)-3-pentylurea is CCCCCNC(=O)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of 1-(1H-indol-6-yl)-3-pentylurea?
The InChIKey is PDIMNSAXCSCBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-3-4-8-16-14(18)17-12-6-5-11-7-9-15-13(11)10-12/h5-7,9-10,15H,2-4,8H2,1H3,(H2,16,17,18).
What are the key properties of 1-(1H-indol-6-yl)-3-pentylurea?
1-(1H-indol-6-yl)-3-pentylurea has a molecular weight of 245.33 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-6-yl)-3-pentylurea is sourced from PubChem (CID 155412349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).