N-[(9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide

C16H20N2O — CID 10611106

IUPACN-[(9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
SMILESCC(=O)NCC1CCCc2c1c1ccccc1n2C
InChIInChI=1S/C16H20N2O/c1-11(19)17-10-12-6-5-9-15-16(12)13-7-3-4-8-14(13)18(15)2/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,17,19)
InChIKeyFXGOVZAZDXYZHV-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.73
Rot. Bonds2

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

N-[(9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide (PubChem CID 10611106) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
PubChem CID10611106
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[(9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
SMILESCC(=O)NCC1CCCc2c1c1ccccc1n2C
InChIInChI=1S/C16H20N2O/c1-11(19)17-10-12-6-5-9-15-16(12)13-7-3-4-8-14(13)18(15)2/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,17,19)
InChIKeyFXGOVZAZDXYZHV-UHFFFAOYSA-N
XLogP2.73
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide?
The IUPAC name of N-[(9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide (CID 10611106) is N-[(9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide?
The canonical SMILES for N-[(9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide is CC(=O)NCC1CCCc2c1c1ccccc1n2C.
What is the InChIKey of N-[(9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide?
The InChIKey is FXGOVZAZDXYZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11(19)17-10-12-6-5-9-15-16(12)13-7-3-4-8-14(13)18(15)2/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-[(9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide?
N-[(9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide has a molecular weight of 256.35 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide is sourced from PubChem (CID 10611106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).