N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C23H25N3O2 — CID 33230329

IUPACN-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)c2cccc3c4c([nH]c23)CCCC4)c1
InChIInChI=1S/C23H25N3O2/c1-15(27)26(2)14-16-7-5-8-17(13-16)24-23(28)20-11-6-10-19-18-9-3-4-12-21(18)25-22(19)20/h5-8,10-11,13,25H,3-4,9,12,14H2,1-2H3,(H,24,28)
InChIKeyDTECJENJFFPUPD-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.28
Rot. Bonds4

About N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 33230329) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID33230329
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)c2cccc3c4c([nH]c23)CCCC4)c1
InChIInChI=1S/C23H25N3O2/c1-15(27)26(2)14-16-7-5-8-17(13-16)24-23(28)20-11-6-10-19-18-9-3-4-12-21(18)25-22(19)20/h5-8,10-11,13,25H,3-4,9,12,14H2,1-2H3,(H,24,28)
InChIKeyDTECJENJFFPUPD-UHFFFAOYSA-N
XLogP4.28
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 33230329) is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is CC(=O)N(C)Cc1cccc(NC(=O)c2cccc3c4c([nH]c23)CCCC4)c1.
What is the InChIKey of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is DTECJENJFFPUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15(27)26(2)14-16-7-5-8-17(13-16)24-23(28)20-11-6-10-19-18-9-3-4-12-21(18)25-22(19)20/h5-8,10-11,13,25H,3-4,9,12,14H2,1-2H3,(H,24,28).
What are the key properties of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 33230329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).