N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C26H30N4O3 — CID 24661539

IUPACN-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1ccc2[nH]c3c(c2c1)CC(C)CC3
InChIInChI=1S/C26H30N4O3/c1-3-30(13-12-24(31)28-19-8-5-17(6-9-19)25(27)32)26(33)18-7-11-23-21(15-18)20-14-16(2)4-10-22(20)29-23/h5-9,11,15-16,29H,3-4,10,12-14H2,1-2H3,(H2,27,32)(H,28,31)
InChIKeyMBPZBWCEYWTURK-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.88
Rot. Bonds7

About N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 24661539) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID24661539
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC NameN-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1ccc2[nH]c3c(c2c1)CC(C)CC3
InChIInChI=1S/C26H30N4O3/c1-3-30(13-12-24(31)28-19-8-5-17(6-9-19)25(27)32)26(33)18-7-11-23-21(15-18)20-14-16(2)4-10-22(20)29-23/h5-9,11,15-16,29H,3-4,10,12-14H2,1-2H3,(H2,27,32)(H,28,31)
InChIKeyMBPZBWCEYWTURK-UHFFFAOYSA-N
XLogP3.88
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N,N-bis(2-hydroxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110878264
(6R)-N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27226950
6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18104801
methyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate
CID 42941245
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 4052175
N-benzyl-N-(2-methoxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18292641
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide
CID 46558447
(6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 41090432
[2-(2-methylpropylamino)-2-oxoethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 2649029
4-amino-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-3-nitrobenzamide
CID 46558439
[2-oxo-2-(propan-2-ylamino)ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 2649013
N,6-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 45355617

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 24661539) is N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1ccc2[nH]c3c(c2c1)CC(C)CC3.
What is the InChIKey of N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is MBPZBWCEYWTURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-3-30(13-12-24(31)28-19-8-5-17(6-9-19)25(27)32)26(33)18-7-11-23-21(15-18)20-14-16(2)4-10-22(20)29-23/h5-9,11,15-16,29H,3-4,10,12-14H2,1-2H3,(H2,27,32)(H,28,31).
What are the key properties of N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 3.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 24661539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).