1-(1H-indol-4-yl)-3-pentylurea

C14H19N3O — CID 51132800

IUPAC1-(1H-indol-4-yl)-3-pentylurea
SMILESCCCCCNC(=O)Nc1cccc2[nH]ccc12
InChIInChI=1S/C14H19N3O/c1-2-3-4-9-16-14(18)17-13-7-5-6-12-11(13)8-10-15-12/h5-8,10,15H,2-4,9H2,1H3,(H2,16,17,18)
InChIKeyQJNZEGHTRSLGBY-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.48
Rot. Bonds5

About 1-(1H-indol-4-yl)-3-pentylurea

1-(1H-indol-4-yl)-3-pentylurea (PubChem CID 51132800) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(1H-indol-4-yl)-3-pentylurea.

Molecular Properties

Compound Name1-(1H-indol-4-yl)-3-pentylurea
PubChem CID51132800
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(1H-indol-4-yl)-3-pentylurea
SMILESCCCCCNC(=O)Nc1cccc2[nH]ccc12
InChIInChI=1S/C14H19N3O/c1-2-3-4-9-16-14(18)17-13-7-5-6-12-11(13)8-10-15-12/h5-8,10,15H,2-4,9H2,1H3,(H2,16,17,18)
InChIKeyQJNZEGHTRSLGBY-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-octadecyl-3-pyren-1-ylurea
CID 23346897
1-(2-aminophenyl)-3-nonylurea
CID 177454724
2-(dodecylcarbamoylamino)benzoic acid
CID 150660429
N-(1H-indol-4-yl)-5-pentylpyridine-2-carboxamide
CID 172619007
1-(2-methylsulfonylphenyl)-3-pentylurea
CID 47033227
N-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride
CID 119706198
1-(1H-indol-6-yl)-3-pentylurea
CID 155412349
1-(1H-indol-7-yl)-3-[4-(1H-indol-7-ylcarbamoylamino)butyl]urea
CID 139042864
N-(1H-indol-4-yl)-2,2-dimethylpropanamide
CID 110730904
2-amino-N-(1H-indol-4-yl)acetamide
CID 110470011
propane;N-prop-1-en-2-yl-1H-indol-4-amine
CID 143997760
1-dodecyl-3-phenylurea
CID 3697946

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-yl)-3-pentylurea?
The IUPAC name of 1-(1H-indol-4-yl)-3-pentylurea (CID 51132800) is 1-(1H-indol-4-yl)-3-pentylurea.
What is the SMILES notation for 1-(1H-indol-4-yl)-3-pentylurea?
The canonical SMILES for 1-(1H-indol-4-yl)-3-pentylurea is CCCCCNC(=O)Nc1cccc2[nH]ccc12.
What is the InChIKey of 1-(1H-indol-4-yl)-3-pentylurea?
The InChIKey is QJNZEGHTRSLGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-3-4-9-16-14(18)17-13-7-5-6-12-11(13)8-10-15-12/h5-8,10,15H,2-4,9H2,1H3,(H2,16,17,18).
What are the key properties of 1-(1H-indol-4-yl)-3-pentylurea?
1-(1H-indol-4-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-4-yl)-3-pentylurea is sourced from PubChem (CID 51132800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).