N-[2-(cyclopropylamino)-2-oxoethyl]-N-ethyl-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

C26H35N3O3 — CID 25174166

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-N-ethyl-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCCN(CC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CCC(C2CCOCC2)C1
InChIInChI=1S/C26H35N3O3/c1-3-29(16-25(30)27-20-6-7-20)26(31)19-5-9-24-22(15-19)21-14-18(4-8-23(21)28(24)2)17-10-12-32-13-11-17/h5,9,15,17-18,20H,3-4,6-8,10-14,16H2,1-2H3,(H,27,30)
InChIKeyMAAGUWONZDCLSO-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.45
Rot. Bonds6

About N-[2-(cyclopropylamino)-2-oxoethyl]-N-ethyl-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

N-[2-(cyclopropylamino)-2-oxoethyl]-N-ethyl-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (PubChem CID 25174166) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-N-ethyl-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-N-ethyl-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
PubChem CID25174166
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-N-ethyl-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCCN(CC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CCC(C2CCOCC2)C1
InChIInChI=1S/C26H35N3O3/c1-3-29(16-25(30)27-20-6-7-20)26(31)19-5-9-24-22(15-19)21-14-18(4-8-23(21)28(24)2)17-10-12-32-13-11-17/h5,9,15,17-18,20H,3-4,6-8,10-14,16H2,1-2H3,(H,27,30)
InChIKeyMAAGUWONZDCLSO-UHFFFAOYSA-N
XLogP3.45
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-N-ethyl-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-N-ethyl-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (CID 25174166) is N-[2-(cyclopropylamino)-2-oxoethyl]-N-ethyl-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-N-ethyl-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-N-ethyl-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is CCN(CC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CCC(C2CCOCC2)C1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-N-ethyl-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The InChIKey is MAAGUWONZDCLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-3-29(16-25(30)27-20-6-7-20)26(31)19-5-9-24-22(15-19)21-14-18(4-8-23(21)28(24)2)17-10-12-32-13-11-17/h5,9,15,17-18,20H,3-4,6-8,10-14,16H2,1-2H3,(H,27,30).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-N-ethyl-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-N-ethyl-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide has a molecular weight of 437.58 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-N-ethyl-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 25174166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).