phenyl N-(7-indol-1-ylheptyl)carbamate

C22H26N2O2 — CID 122179641

IUPACphenyl N-(7-indol-1-ylheptyl)carbamate
SMILESO=C(NCCCCCCCn1ccc2ccccc21)Oc1ccccc1
InChIInChI=1S/C22H26N2O2/c25-22(26-20-12-5-4-6-13-20)23-16-9-2-1-3-10-17-24-18-15-19-11-7-8-14-21(19)24/h4-8,11-15,18H,1-3,9-10,16-17H2,(H,23,25)
InChIKeyULGSOYWNXCVYCD-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.38
Rot. Bonds9

About phenyl N-(7-indol-1-ylheptyl)carbamate

phenyl N-(7-indol-1-ylheptyl)carbamate (PubChem CID 122179641) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is phenyl N-(7-indol-1-ylheptyl)carbamate.

Molecular Properties

Compound Namephenyl N-(7-indol-1-ylheptyl)carbamate
PubChem CID122179641
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Namephenyl N-(7-indol-1-ylheptyl)carbamate
SMILESO=C(NCCCCCCCn1ccc2ccccc21)Oc1ccccc1
InChIInChI=1S/C22H26N2O2/c25-22(26-20-12-5-4-6-13-20)23-16-9-2-1-3-10-17-24-18-15-19-11-7-8-14-21(19)24/h4-8,11-15,18H,1-3,9-10,16-17H2,(H,23,25)
InChIKeyULGSOYWNXCVYCD-UHFFFAOYSA-N
XLogP5.38
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(7-indol-1-ylheptyl)carbamate?
The IUPAC name of phenyl N-(7-indol-1-ylheptyl)carbamate (CID 122179641) is phenyl N-(7-indol-1-ylheptyl)carbamate.
What is the SMILES notation for phenyl N-(7-indol-1-ylheptyl)carbamate?
The canonical SMILES for phenyl N-(7-indol-1-ylheptyl)carbamate is O=C(NCCCCCCCn1ccc2ccccc21)Oc1ccccc1.
What is the InChIKey of phenyl N-(7-indol-1-ylheptyl)carbamate?
The InChIKey is ULGSOYWNXCVYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-22(26-20-12-5-4-6-13-20)23-16-9-2-1-3-10-17-24-18-15-19-11-7-8-14-21(19)24/h4-8,11-15,18H,1-3,9-10,16-17H2,(H,23,25).
What are the key properties of phenyl N-(7-indol-1-ylheptyl)carbamate?
phenyl N-(7-indol-1-ylheptyl)carbamate has a molecular weight of 350.46 g/mol, XLogP of 5.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(7-indol-1-ylheptyl)carbamate is sourced from PubChem (CID 122179641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).