4-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbenzamide

C23H23N3O — CID 154794555

IUPAC4-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbenzamide
SMILESCCn1c2ccccc2c2cc(CNc3ccc(C(N)=O)cc3C)ccc21
InChIInChI=1S/C23H23N3O/c1-3-26-21-7-5-4-6-18(21)19-13-16(8-11-22(19)26)14-25-20-10-9-17(23(24)27)12-15(20)2/h4-13,25H,3,14H2,1-2H3,(H2,24,27)
InChIKeyGPRSURQJZILWSZ-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.83
Rot. Bonds5

About 4-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbenzamide

4-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbenzamide (PubChem CID 154794555) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbenzamide
PubChem CID154794555
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name4-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbenzamide
SMILESCCn1c2ccccc2c2cc(CNc3ccc(C(N)=O)cc3C)ccc21
InChIInChI=1S/C23H23N3O/c1-3-26-21-7-5-4-6-18(21)19-13-16(8-11-22(19)26)14-25-20-10-9-17(23(24)27)12-15(20)2/h4-13,25H,3,14H2,1-2H3,(H2,24,27)
InChIKeyGPRSURQJZILWSZ-UHFFFAOYSA-N
XLogP4.83
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbenzamide?
The IUPAC name of 4-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbenzamide (CID 154794555) is 4-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbenzamide.
What is the SMILES notation for 4-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbenzamide?
The canonical SMILES for 4-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbenzamide is CCn1c2ccccc2c2cc(CNc3ccc(C(N)=O)cc3C)ccc21.
What is the InChIKey of 4-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbenzamide?
The InChIKey is GPRSURQJZILWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-3-26-21-7-5-4-6-18(21)19-13-16(8-11-22(19)26)14-25-20-10-9-17(23(24)27)12-15(20)2/h4-13,25H,3,14H2,1-2H3,(H2,24,27).
What are the key properties of 4-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbenzamide?
4-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbenzamide has a molecular weight of 357.46 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbenzamide is sourced from PubChem (CID 154794555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).