N-[1-hydroxy-2-(hydroxymethyl)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C16H19NO3 — CID 141349639

IUPACN-[1-hydroxy-2-(hydroxymethyl)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(C)C(CO)(CO)NC(=O)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C16H19NO3/c1-9(2)16(7-18,8-19)17-15(20)12-4-3-11-13-5-10(13)6-14(11)12/h3-4,6,9,18-19H,5,7-8H2,1-2H3,(H,17,20)
InChIKeyOVZMEBVWHGDNTI-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.99
Rot. Bonds5

About N-[1-hydroxy-2-(hydroxymethyl)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-[1-hydroxy-2-(hydroxymethyl)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141349639) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141349639
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(C)C(CO)(CO)NC(=O)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C16H19NO3/c1-9(2)16(7-18,8-19)17-15(20)12-4-3-11-13-5-10(13)6-14(11)12/h3-4,6,9,18-19H,5,7-8H2,1-2H3,(H,17,20)
InChIKeyOVZMEBVWHGDNTI-UHFFFAOYSA-N
XLogP0.99
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-hydroxy-2-(hydroxymethyl)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-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-[1-hydroxy-2-(hydroxymethyl)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141349639) is N-[1-hydroxy-2-(hydroxymethyl)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is CC(C)C(CO)(CO)NC(=O)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is OVZMEBVWHGDNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-9(2)16(7-18,8-19)17-15(20)12-4-3-11-13-5-10(13)6-14(11)12/h3-4,6,9,18-19H,5,7-8H2,1-2H3,(H,17,20).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[1-hydroxy-2-(hydroxymethyl)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141349639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).