N-(3-acetamidoazulen-1-yl)acetamide

C14H14N2O2 — CID 86151929

IUPACN-(3-acetamidoazulen-1-yl)acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)c2cccccc1-2
InChIInChI=1S/C14H14N2O2/c1-9(17)15-13-8-14(16-10(2)18)12-7-5-3-4-6-11(12)13/h3-8H,1-2H3,(H,15,17)(H,16,18)
InChIKeyDIDQXRGKNNZZJF-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.71
Rot. Bonds2

About N-(3-acetamidoazulen-1-yl)acetamide

N-(3-acetamidoazulen-1-yl)acetamide (PubChem CID 86151929) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(3-acetamidoazulen-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetamidoazulen-1-yl)acetamide
PubChem CID86151929
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-(3-acetamidoazulen-1-yl)acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)c2cccccc1-2
InChIInChI=1S/C14H14N2O2/c1-9(17)15-13-8-14(16-10(2)18)12-7-5-3-4-6-11(12)13/h3-8H,1-2H3,(H,15,17)(H,16,18)
InChIKeyDIDQXRGKNNZZJF-UHFFFAOYSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-acetamidoazulen-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-acetamido-2,4-dianilinophenyl)acetamide
CID 23026476
N-(5-chloro-2-phenylphenyl)acetamide
CID 11425106
N-(5-bromo-2-phenylphenyl)acetamide
CID 139240765
N-(2-phenylphenyl)acetamide;propan-1-ol
CID 175030859
(E)-but-2-enedioic acid;N-(2-hydroxyphenyl)acetamide
CID 175230643
5-(2-acetamidophenyl)-2,4-dimethoxybenzoic acid
CID 71200965
N-[2-(methylamino)phenyl]acetamide
CID 22950987
CID 170843062
CID 170843062
N-[2-(2,4-dimethoxyphenyl)phenyl]acetamide
CID 86081519
N-[2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 135445433
cobalt;N-phenylacetamide
CID 158689050
N-[2-(2-oxochromen-3-yl)phenyl]acetamide
CID 164684022

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidoazulen-1-yl)acetamide?
The IUPAC name of N-(3-acetamidoazulen-1-yl)acetamide (CID 86151929) is N-(3-acetamidoazulen-1-yl)acetamide.
What is the SMILES notation for N-(3-acetamidoazulen-1-yl)acetamide?
The canonical SMILES for N-(3-acetamidoazulen-1-yl)acetamide is CC(=O)Nc1cc(NC(C)=O)c2cccccc1-2.
What is the InChIKey of N-(3-acetamidoazulen-1-yl)acetamide?
The InChIKey is DIDQXRGKNNZZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9(17)15-13-8-14(16-10(2)18)12-7-5-3-4-6-11(12)13/h3-8H,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(3-acetamidoazulen-1-yl)acetamide?
N-(3-acetamidoazulen-1-yl)acetamide has a molecular weight of 242.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidoazulen-1-yl)acetamide is sourced from PubChem (CID 86151929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).