9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide

C25H26N2O — CID 174440690

IUPAC9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide
SMILESCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3cc(C)ccc3C)c2c1
InChIInChI=1S/C25H26N2O/c1-4-6-18-11-12-20-23(14-18)27(15-19-13-16(2)9-10-17(19)3)22-8-5-7-21(24(20)22)25(26)28/h5,7-14H,4,6,15H2,1-3H3,(H2,26,28)
InChIKeyPMCOYQZEWNWUBA-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.51
Rot. Bonds5

About 9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide

9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide (PubChem CID 174440690) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide
PubChem CID174440690
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide
SMILESCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3cc(C)ccc3C)c2c1
InChIInChI=1S/C25H26N2O/c1-4-6-18-11-12-20-23(14-18)27(15-19-13-16(2)9-10-17(19)3)22-8-5-7-21(24(20)22)25(26)28/h5,7-14H,4,6,15H2,1-3H3,(H2,26,28)
InChIKeyPMCOYQZEWNWUBA-UHFFFAOYSA-N
XLogP5.51
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[(2,5-dimethylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174400974
9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174414828
7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
CID 174417581
9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 175235910
9-[(2-methylsulfonylphenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 174417821
7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide
CID 174401378
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide
CID 174414518
9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174400303
7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 174400032
9-[(2,4-dimethylphenyl)methyl]carbazole-4-carboxamide
CID 174423911
9-[[4-(difluoromethoxy)phenyl]methyl]-7-propylcarbazole-4-carboxamide
CID 175233543
9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174401373

Frequently Asked Questions

What is the IUPAC name of 9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide?
The IUPAC name of 9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide (CID 174440690) is 9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide is CCCc1ccc2c3c(C(N)=O)cccc3n(Cc3cc(C)ccc3C)c2c1.
What is the InChIKey of 9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide?
The InChIKey is PMCOYQZEWNWUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-4-6-18-11-12-20-23(14-18)27(15-19-13-16(2)9-10-17(19)3)22-8-5-7-21(24(20)22)25(26)28/h5,7-14H,4,6,15H2,1-3H3,(H2,26,28).
What are the key properties of 9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide?
9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide is sourced from PubChem (CID 174440690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).