N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]propanamide

C18H24N2O2 — CID 10637970

IUPACN-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]propanamide
SMILESCCC(=O)NCC1CCCc2c1c1cc(OC)ccc1n2C
InChIInChI=1S/C18H24N2O2/c1-4-17(21)19-11-12-6-5-7-16-18(12)14-10-13(22-3)8-9-15(14)20(16)2/h8-10,12H,4-7,11H2,1-3H3,(H,19,21)
InChIKeyHDRFUSNCWLPLJQ-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.13
Rot. Bonds4

About N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]propanamide

N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]propanamide (PubChem CID 10637970) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]propanamide
PubChem CID10637970
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]propanamide
SMILESCCC(=O)NCC1CCCc2c1c1cc(OC)ccc1n2C
InChIInChI=1S/C18H24N2O2/c1-4-17(21)19-11-12-6-5-7-16-18(12)14-10-13(22-3)8-9-15(14)20(16)2/h8-10,12H,4-7,11H2,1-3H3,(H,19,21)
InChIKeyHDRFUSNCWLPLJQ-UHFFFAOYSA-N
XLogP3.13
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]propanamide?
The IUPAC name of N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]propanamide (CID 10637970) is N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]propanamide?
The canonical SMILES for N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]propanamide is CCC(=O)NCC1CCCc2c1c1cc(OC)ccc1n2C.
What is the InChIKey of N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]propanamide?
The InChIKey is HDRFUSNCWLPLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-4-17(21)19-11-12-6-5-7-16-18(12)14-10-13(22-3)8-9-15(14)20(16)2/h8-10,12H,4-7,11H2,1-3H3,(H,19,21).
What are the key properties of N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]propanamide?
N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]propanamide has a molecular weight of 300.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]propanamide is sourced from PubChem (CID 10637970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).