N-[4-(cyclopropylamino)-4-oxobutyl]-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

C26H35N3O3 — CID 25197117

IUPACN-[4-(cyclopropylamino)-4-oxobutyl]-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCn1c2c(c3cc(C(=O)NCCCC(=O)NC4CC4)ccc31)CC(C1CCOCC1)CC2
InChIInChI=1S/C26H35N3O3/c1-29-23-8-4-18(17-10-13-32-14-11-17)15-21(23)22-16-19(5-9-24(22)29)26(31)27-12-2-3-25(30)28-20-6-7-20/h5,9,16-18,20H,2-4,6-8,10-15H2,1H3,(H,27,31)(H,28,30)
InChIKeyTUAPMXUWLPZNSB-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.50
Rot. Bonds7

About N-[4-(cyclopropylamino)-4-oxobutyl]-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

N-[4-(cyclopropylamino)-4-oxobutyl]-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (PubChem CID 25197117) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)-4-oxobutyl]-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylamino)-4-oxobutyl]-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
PubChem CID25197117
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC NameN-[4-(cyclopropylamino)-4-oxobutyl]-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCn1c2c(c3cc(C(=O)NCCCC(=O)NC4CC4)ccc31)CC(C1CCOCC1)CC2
InChIInChI=1S/C26H35N3O3/c1-29-23-8-4-18(17-10-13-32-14-11-17)15-21(23)22-16-19(5-9-24(22)29)26(31)27-12-2-3-25(30)28-20-6-7-20/h5,9,16-18,20H,2-4,6-8,10-15H2,1H3,(H,27,31)(H,28,30)
InChIKeyTUAPMXUWLPZNSB-UHFFFAOYSA-N
XLogP3.50
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(cyclopropylamino)-4-oxobutyl]-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-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

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (CID 25197117) is N-[4-(cyclopropylamino)-4-oxobutyl]-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylamino)-4-oxobutyl]-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for N-[4-(cyclopropylamino)-4-oxobutyl]-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is Cn1c2c(c3cc(C(=O)NCCCC(=O)NC4CC4)ccc31)CC(C1CCOCC1)CC2.
What is the InChIKey of N-[4-(cyclopropylamino)-4-oxobutyl]-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The InChIKey is TUAPMXUWLPZNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-29-23-8-4-18(17-10-13-32-14-11-17)15-21(23)22-16-19(5-9-24(22)29)26(31)27-12-2-3-25(30)28-20-6-7-20/h5,9,16-18,20H,2-4,6-8,10-15H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-[4-(cyclopropylamino)-4-oxobutyl]-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
N-[4-(cyclopropylamino)-4-oxobutyl]-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide has a molecular weight of 437.58 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylamino)-4-oxobutyl]-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 25197117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).