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

C19H26N2O2 — CID 10543296

IUPACN-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]butanamide
SMILESCCCC(=O)NCC1CCCc2c1c1cc(OC)ccc1n2C
InChIInChI=1S/C19H26N2O2/c1-4-6-18(22)20-12-13-7-5-8-17-19(13)15-11-14(23-3)9-10-16(15)21(17)2/h9-11,13H,4-8,12H2,1-3H3,(H,20,22)
InChIKeyVQIPBUUNMHLVAZ-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.52
Rot. Bonds5

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

N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]butanamide (PubChem CID 10543296) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]butanamide
PubChem CID10543296
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]butanamide
SMILESCCCC(=O)NCC1CCCc2c1c1cc(OC)ccc1n2C
InChIInChI=1S/C19H26N2O2/c1-4-6-18(22)20-12-13-7-5-8-17-19(13)15-11-14(23-3)9-10-16(15)21(17)2/h9-11,13H,4-8,12H2,1-3H3,(H,20,22)
InChIKeyVQIPBUUNMHLVAZ-UHFFFAOYSA-N
XLogP3.52
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.52
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]butanamide?
The IUPAC name of N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]butanamide (CID 10543296) is N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]butanamide.
What is the SMILES notation for N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]butanamide?
The canonical SMILES for N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]butanamide is CCCC(=O)NCC1CCCc2c1c1cc(OC)ccc1n2C.
What is the InChIKey of N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]butanamide?
The InChIKey is VQIPBUUNMHLVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-4-6-18(22)20-12-13-7-5-8-17-19(13)15-11-14(23-3)9-10-16(15)21(17)2/h9-11,13H,4-8,12H2,1-3H3,(H,20,22).
What are the key properties of N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]butanamide?
N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]butanamide has a molecular weight of 314.43 g/mol, XLogP of 3.52, 5 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]butanamide is sourced from PubChem (CID 10543296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).