N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide

C23H30N2O2 — CID 56666135

IUPACN-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide
SMILESCCCCCCCCn1c2ccccc2c2ccc(OCCNC=O)cc21
InChIInChI=1S/C23H30N2O2/c1-2-3-4-5-6-9-15-25-22-11-8-7-10-20(22)21-13-12-19(17-23(21)25)27-16-14-24-18-26/h7-8,10-13,17-18H,2-6,9,14-16H2,1H3,(H,24,26)
InChIKeyVXTOMGNCYHMCBK-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.28
Rot. Bonds12

About N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide

N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide (PubChem CID 56666135) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide.

Molecular Properties

Compound NameN-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide
PubChem CID56666135
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide
SMILESCCCCCCCCn1c2ccccc2c2ccc(OCCNC=O)cc21
InChIInChI=1S/C23H30N2O2/c1-2-3-4-5-6-9-15-25-22-11-8-7-10-20(22)21-13-12-19(17-23(21)25)27-16-14-24-18-26/h7-8,10-13,17-18H,2-6,9,14-16H2,1H3,(H,24,26)
InChIKeyVXTOMGNCYHMCBK-UHFFFAOYSA-N
XLogP5.28
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide?
The IUPAC name of N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide (CID 56666135) is N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide.
What is the SMILES notation for N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide?
The canonical SMILES for N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide is CCCCCCCCn1c2ccccc2c2ccc(OCCNC=O)cc21.
What is the InChIKey of N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide?
The InChIKey is VXTOMGNCYHMCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-2-3-4-5-6-9-15-25-22-11-8-7-10-20(22)21-13-12-19(17-23(21)25)27-16-14-24-18-26/h7-8,10-13,17-18H,2-6,9,14-16H2,1H3,(H,24,26).
What are the key properties of N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide?
N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide has a molecular weight of 366.51 g/mol, XLogP of 5.28, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9-octylcarbazol-2-yl)oxyethyl]formamide is sourced from PubChem (CID 56666135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).