[3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-yl] N-(2-hydroxyethyl)carbamate

C26H31N3O3 — CID 70364403

IUPAC[3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-yl] N-(2-hydroxyethyl)carbamate
SMILESO=C(NCCO)Oc1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1
InChIInChI=1S/C26H31N3O3/c30-17-13-27-26(31)32-23-9-10-25-24(18-23)22(19-28-25)8-4-5-14-29-15-11-21(12-16-29)20-6-2-1-3-7-20/h1-3,6-7,9-11,18-19,28,30H,4-5,8,12-17H2,(H,27,31)
InChIKeyJEACPWOLXAMPSJ-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.36
Rot. Bonds9

About [3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-yl] N-(2-hydroxyethyl)carbamate

[3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-yl] N-(2-hydroxyethyl)carbamate (PubChem CID 70364403) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is [3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-yl] N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name[3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-yl] N-(2-hydroxyethyl)carbamate
PubChem CID70364403
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name[3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-yl] N-(2-hydroxyethyl)carbamate
SMILESO=C(NCCO)Oc1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1
InChIInChI=1S/C26H31N3O3/c30-17-13-27-26(31)32-23-9-10-25-24(18-23)22(19-28-25)8-4-5-14-29-15-11-21(12-16-29)20-6-2-1-3-7-20/h1-3,6-7,9-11,18-19,28,30H,4-5,8,12-17H2,(H,27,31)
InChIKeyJEACPWOLXAMPSJ-UHFFFAOYSA-N
XLogP4.36
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-yl]oxycarbonylamino]ethyl benzoate
CID 70364316
5-fluoro-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole;hydrochloride
CID 10475148
3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride
CID 10089396
4-(5-methoxy-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 10384807
3-[4-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 67883250
(4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 177382635
3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole;hydrochloride
CID 10386307
2-[1-[4-(5-methoxy-1H-indol-3-yl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol
CID 67713328
3-[4-[4-(5-carbamoyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-5-carboxamide
CID 21469442
[3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indol-5-yl] hydrogen carbonate
CID 70412080
2-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
CID 70483326
6-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
CID 70483148

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-yl] N-(2-hydroxyethyl)carbamate?
The IUPAC name of [3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-yl] N-(2-hydroxyethyl)carbamate (CID 70364403) is [3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-yl] N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for [3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-yl] N-(2-hydroxyethyl)carbamate?
The canonical SMILES for [3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-yl] N-(2-hydroxyethyl)carbamate is O=C(NCCO)Oc1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1.
What is the InChIKey of [3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-yl] N-(2-hydroxyethyl)carbamate?
The InChIKey is JEACPWOLXAMPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c30-17-13-27-26(31)32-23-9-10-25-24(18-23)22(19-28-25)8-4-5-14-29-15-11-21(12-16-29)20-6-2-1-3-7-20/h1-3,6-7,9-11,18-19,28,30H,4-5,8,12-17H2,(H,27,31).
What are the key properties of [3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-yl] N-(2-hydroxyethyl)carbamate?
[3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-yl] N-(2-hydroxyethyl)carbamate has a molecular weight of 433.55 g/mol, XLogP of 4.36, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-yl] N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 70364403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).