1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea

C15H21N3O2 — CID 110936400

IUPAC1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea
SMILESCCCn1ccc2cc(NC(=O)NCCCO)ccc21
InChIInChI=1S/C15H21N3O2/c1-2-8-18-9-6-12-11-13(4-5-14(12)18)17-15(20)16-7-3-10-19/h4-6,9,11,19H,2-3,7-8,10H2,1H3,(H2,16,17,20)
InChIKeyKAAIQVIVDADHLB-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.56
Rot. Bonds6

About 1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea

1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea (PubChem CID 110936400) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea
PubChem CID110936400
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea
SMILESCCCn1ccc2cc(NC(=O)NCCCO)ccc21
InChIInChI=1S/C15H21N3O2/c1-2-8-18-9-6-12-11-13(4-5-14(12)18)17-15(20)16-7-3-10-19/h4-6,9,11,19H,2-3,7-8,10H2,1H3,(H2,16,17,20)
InChIKeyKAAIQVIVDADHLB-UHFFFAOYSA-N
XLogP2.56
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
CID 56557196
2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide
CID 49498410
4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride
CID 119865627
1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea
CID 110936399
1-(4-hydroxy-2-methylbutyl)-3-(1-propylindol-6-yl)urea
CID 111474973
N-[(2R,3R)-2-hydroxy-3-methylpentyl]-N'-(1-propylindol-5-yl)oxamide
CID 95773561
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(1-propylindol-5-yl)urea
CID 111926333
N-[(1-hydroxycyclopentyl)methyl]-N'-(1-propylindol-5-yl)oxamide
CID 111435497
1-[4-(dibutylamino)phenyl]-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea
CID 91044427
4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide
CID 111424917
1-(4-butylphenyl)-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea
CID 91111671
1-[1-(2-methoxyethyl)indol-5-yl]-3-prop-2-enylurea
CID 56825864

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea (CID 110936400) is 1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea is CCCn1ccc2cc(NC(=O)NCCCO)ccc21.
What is the InChIKey of 1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea?
The InChIKey is KAAIQVIVDADHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-8-18-9-6-12-11-13(4-5-14(12)18)17-15(20)16-7-3-10-19/h4-6,9,11,19H,2-3,7-8,10H2,1H3,(H2,16,17,20).
What are the key properties of 1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea?
1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea has a molecular weight of 275.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea is sourced from PubChem (CID 110936400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).