1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea

C18H25N3O2 — CID 110936399

IUPAC1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea
SMILESCCCn1ccc2cc(NC(=O)NC3CCC(O)CC3)ccc21
InChIInChI=1S/C18H25N3O2/c1-2-10-21-11-9-13-12-15(5-8-17(13)21)20-18(23)19-14-3-6-16(22)7-4-14/h5,8-9,11-12,14,16,22H,2-4,6-7,10H2,1H3,(H2,19,20,23)
InChIKeyRNIJVWUSBPGIPN-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.48
Rot. Bonds4

About 1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea

1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea (PubChem CID 110936399) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea
PubChem CID110936399
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea
SMILESCCCn1ccc2cc(NC(=O)NC3CCC(O)CC3)ccc21
InChIInChI=1S/C18H25N3O2/c1-2-10-21-11-9-13-12-15(5-8-17(13)21)20-18(23)19-14-3-6-16(22)7-4-14/h5,8-9,11-12,14,16,22H,2-4,6-7,10H2,1H3,(H2,19,20,23)
InChIKeyRNIJVWUSBPGIPN-UHFFFAOYSA-N
XLogP3.48
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxypropyl)-3-(1-propylindol-5-yl)urea
CID 110936400
N-(1-propylindol-5-yl)pyrrolidine-2-carboxamide
CID 119865612
4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide
CID 111424917
N-(1-propylindol-5-yl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119865623
4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride
CID 119865627
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 56527629
N,N-dimethyl-2-[5-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]indol-1-yl]acetamide
CID 56566441
1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea
CID 110890419
2-cyclopropyl-1,3-dioxo-N-(1-propylindol-5-yl)isoindole-5-carboxamide
CID 52806948
1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
CID 17412691
N,N-diethyl-2-[5-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]indol-1-yl]acetamide
CID 86889785
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(1-propylindol-5-yl)urea
CID 111926333

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea (CID 110936399) is 1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea is CCCn1ccc2cc(NC(=O)NC3CCC(O)CC3)ccc21.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea?
The InChIKey is RNIJVWUSBPGIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-2-10-21-11-9-13-12-15(5-8-17(13)21)20-18(23)19-14-3-6-16(22)7-4-14/h5,8-9,11-12,14,16,22H,2-4,6-7,10H2,1H3,(H2,19,20,23).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea?
1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea has a molecular weight of 315.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea is sourced from PubChem (CID 110936399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).