2-(9-benzyl-1-methylcarbazol-2-yl)acetamide

C22H20N2O — CID 71397775

IUPAC2-(9-benzyl-1-methylcarbazol-2-yl)acetamide
SMILESCc1c(CC(N)=O)ccc2c3ccccc3n(Cc3ccccc3)c12
InChIInChI=1S/C22H20N2O/c1-15-17(13-21(23)25)11-12-19-18-9-5-6-10-20(18)24(22(15)19)14-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3,(H2,23,25)
InChIKeyZTPXEKLAZWTCFW-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.18
Rot. Bonds4

About 2-(9-benzyl-1-methylcarbazol-2-yl)acetamide

2-(9-benzyl-1-methylcarbazol-2-yl)acetamide (PubChem CID 71397775) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(9-benzyl-1-methylcarbazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(9-benzyl-1-methylcarbazol-2-yl)acetamide
PubChem CID71397775
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name2-(9-benzyl-1-methylcarbazol-2-yl)acetamide
SMILESCc1c(CC(N)=O)ccc2c3ccccc3n(Cc3ccccc3)c12
InChIInChI=1S/C22H20N2O/c1-15-17(13-21(23)25)11-12-19-18-9-5-6-10-20(18)24(22(15)19)14-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3,(H2,23,25)
InChIKeyZTPXEKLAZWTCFW-UHFFFAOYSA-N
XLogP4.18
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

2-(2-acetamido-1-benzylindol-3-yl)acetamide
CID 57105980
1-(5-benzylindolo[3,2-b]indol-10-yl)ethanone
CID 563323
2-[4-methyl-9-oxo-3-(2-phenylethyl)acridin-10-yl]acetic acid
CID 138658257
2-(5-amino-1-benzyl-2-methylindol-3-yl)acetamide
CID 10732494
4-[(1-methylpyrido[3,4-b]indol-9-yl)methyl]benzoic acid
CID 143936876
2-[7-(2-amino-2-oxoethyl)-11-benzylbenzo[a]carbazol-6-yl]oxyacetic acid
CID 20769027
3-methyl-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid
CID 83969302
ethyl 5-benzyl-4-(hydroxymethyl)pyrimido[5,4-b]indole-2-carboxylate
CID 134840109
3-(4-benzylthieno[2,3-b]indol-2-yl)propanamide
CID 57128496
2-acetyl-9-benzyl-4-methylpyrido[3,4-b]indol-1-one
CID 102516280
6-benzyl-1,6-diazaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24,26,28-tetradecaene
CID 142323947
ethyl 5-benzyl-4-oxopyrano[3,2-b]indole-2-carboxylate
CID 10020576

Frequently Asked Questions

What is the IUPAC name of 2-(9-benzyl-1-methylcarbazol-2-yl)acetamide?
The IUPAC name of 2-(9-benzyl-1-methylcarbazol-2-yl)acetamide (CID 71397775) is 2-(9-benzyl-1-methylcarbazol-2-yl)acetamide.
What is the SMILES notation for 2-(9-benzyl-1-methylcarbazol-2-yl)acetamide?
The canonical SMILES for 2-(9-benzyl-1-methylcarbazol-2-yl)acetamide is Cc1c(CC(N)=O)ccc2c3ccccc3n(Cc3ccccc3)c12.
What is the InChIKey of 2-(9-benzyl-1-methylcarbazol-2-yl)acetamide?
The InChIKey is ZTPXEKLAZWTCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-15-17(13-21(23)25)11-12-19-18-9-5-6-10-20(18)24(22(15)19)14-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3,(H2,23,25).
What are the key properties of 2-(9-benzyl-1-methylcarbazol-2-yl)acetamide?
2-(9-benzyl-1-methylcarbazol-2-yl)acetamide has a molecular weight of 328.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-benzyl-1-methylcarbazol-2-yl)acetamide is sourced from PubChem (CID 71397775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).