N,N-diethyl-9-pentylcarbazole-3-carboxamide

C22H28N2O — CID 56650683

IUPACN,N-diethyl-9-pentylcarbazole-3-carboxamide
SMILESCCCCCn1c2ccccc2c2cc(C(=O)N(CC)CC)ccc21
InChIInChI=1S/C22H28N2O/c1-4-7-10-15-24-20-12-9-8-11-18(20)19-16-17(13-14-21(19)24)22(25)23(5-2)6-3/h8-9,11-14,16H,4-7,10,15H2,1-3H3
InChIKeyKPTWUUQQFGTICM-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.47
Rot. Bonds7

About N,N-diethyl-9-pentylcarbazole-3-carboxamide

N,N-diethyl-9-pentylcarbazole-3-carboxamide (PubChem CID 56650683) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N,N-diethyl-9-pentylcarbazole-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-9-pentylcarbazole-3-carboxamide
PubChem CID56650683
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN,N-diethyl-9-pentylcarbazole-3-carboxamide
SMILESCCCCCn1c2ccccc2c2cc(C(=O)N(CC)CC)ccc21
InChIInChI=1S/C22H28N2O/c1-4-7-10-15-24-20-12-9-8-11-18(20)19-16-17(13-14-21(19)24)22(25)23(5-2)6-3/h8-9,11-14,16H,4-7,10,15H2,1-3H3
InChIKeyKPTWUUQQFGTICM-UHFFFAOYSA-N
XLogP5.47
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N,N-diethyl-9-pentylcarbazole-3-carboxamide?
The IUPAC name of N,N-diethyl-9-pentylcarbazole-3-carboxamide (CID 56650683) is N,N-diethyl-9-pentylcarbazole-3-carboxamide.
What is the SMILES notation for N,N-diethyl-9-pentylcarbazole-3-carboxamide?
The canonical SMILES for N,N-diethyl-9-pentylcarbazole-3-carboxamide is CCCCCn1c2ccccc2c2cc(C(=O)N(CC)CC)ccc21.
What is the InChIKey of N,N-diethyl-9-pentylcarbazole-3-carboxamide?
The InChIKey is KPTWUUQQFGTICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-4-7-10-15-24-20-12-9-8-11-18(20)19-16-17(13-14-21(19)24)22(25)23(5-2)6-3/h8-9,11-14,16H,4-7,10,15H2,1-3H3.
What are the key properties of N,N-diethyl-9-pentylcarbazole-3-carboxamide?
N,N-diethyl-9-pentylcarbazole-3-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-9-pentylcarbazole-3-carboxamide is sourced from PubChem (CID 56650683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).