1-(3-indol-1-ylpropyl)-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea

C24H29N5O3 — CID 78882935

IUPAC1-(3-indol-1-ylpropyl)-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
SMILESO=C(NCCCn1ccc2ccccc21)Nc1ccc(NC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C24H29N5O3/c30-23(25-13-4-14-29-15-12-18-5-1-2-7-22(18)29)27-19-8-10-20(11-9-19)28-24(31)26-17-21-6-3-16-32-21/h1-2,5,7-12,15,21H,3-4,6,13-14,16-17H2,(H2,25,27,30)(H2,26,28,31)
InChIKeyKFFITHZHAQMDLA-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.15
Rot. Bonds8

About 1-(3-indol-1-ylpropyl)-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea

1-(3-indol-1-ylpropyl)-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea (PubChem CID 78882935) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 1-(3-indol-1-ylpropyl)-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea.

Molecular Properties

Compound Name1-(3-indol-1-ylpropyl)-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
PubChem CID78882935
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name1-(3-indol-1-ylpropyl)-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
SMILESO=C(NCCCn1ccc2ccccc21)Nc1ccc(NC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C24H29N5O3/c30-23(25-13-4-14-29-15-12-18-5-1-2-7-22(18)29)27-19-8-10-20(11-9-19)28-24(31)26-17-21-6-3-16-32-21/h1-2,5,7-12,15,21H,3-4,6,13-14,16-17H2,(H2,25,27,30)(H2,26,28,31)
InChIKeyKFFITHZHAQMDLA-UHFFFAOYSA-N
XLogP4.15
TPSA96.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-indol-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 78877780
2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide
CID 5125884
1-[1-(2-methoxyethyl)indol-5-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95572777
4-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoylamino]butanoic acid
CID 122079897
1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 108875185
N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55651787
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea
CID 175700632
4-(cyclohexylcarbamoylamino)-N-(3-indol-1-ylpropyl)butanamide
CID 16614939
N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-phenoxybutanamide
CID 55527219
1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea
CID 94427132

Frequently Asked Questions

What is the IUPAC name of 1-(3-indol-1-ylpropyl)-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea?
The IUPAC name of 1-(3-indol-1-ylpropyl)-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea (CID 78882935) is 1-(3-indol-1-ylpropyl)-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea.
What is the SMILES notation for 1-(3-indol-1-ylpropyl)-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea?
The canonical SMILES for 1-(3-indol-1-ylpropyl)-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea is O=C(NCCCn1ccc2ccccc21)Nc1ccc(NC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 1-(3-indol-1-ylpropyl)-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea?
The InChIKey is KFFITHZHAQMDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c30-23(25-13-4-14-29-15-12-18-5-1-2-7-22(18)29)27-19-8-10-20(11-9-19)28-24(31)26-17-21-6-3-16-32-21/h1-2,5,7-12,15,21H,3-4,6,13-14,16-17H2,(H2,25,27,30)(H2,26,28,31).
What are the key properties of 1-(3-indol-1-ylpropyl)-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea?
1-(3-indol-1-ylpropyl)-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea has a molecular weight of 435.53 g/mol, XLogP of 4.15, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-indol-1-ylpropyl)-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea is sourced from PubChem (CID 78882935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).