N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide

C23H26N2O2 — CID 98750987

IUPACN-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C23H26N2O2/c1-15-8-7-11-19(16(15)2)24-22(26)14-25-20-12-5-3-9-17(20)23(27)18-10-4-6-13-21(18)25/h3-6,9-10,12-13,15-16,19H,7-8,11,14H2,1-2H3,(H,24,26)/t15-,16+,19+/m1/s1
InChIKeyQQFXMJRGSYGKQY-GJYPPUQNSA-N
MW362.47 g/mol
LogP4.10
Rot. Bonds3

About N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide

N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 98750987) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID98750987
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C23H26N2O2/c1-15-8-7-11-19(16(15)2)24-22(26)14-25-20-12-5-3-9-17(20)23(27)18-10-4-6-13-21(18)25/h3-6,9-10,12-13,15-16,19H,7-8,11,14H2,1-2H3,(H,24,26)/t15-,16+,19+/m1/s1
InChIKeyQQFXMJRGSYGKQY-GJYPPUQNSA-N
XLogP4.10
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylcyclohexyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 4101198
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
CID 98766541
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide
CID 11897735
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide
CID 7328535
N-[2-(aminomethyl)cyclohexyl]-2-(9-oxoacridin-10-yl)acetamide;hydrochloride
CID 119610481
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide
CID 129419658
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 98466593
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 11918031
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 98429828
3-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 7041520
3-[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2399947
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11934678

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide (CID 98750987) is N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide is C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is QQFXMJRGSYGKQY-GJYPPUQNSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-15-8-7-11-19(16(15)2)24-22(26)14-25-20-12-5-3-9-17(20)23(27)18-10-4-6-13-21(18)25/h3-6,9-10,12-13,15-16,19H,7-8,11,14H2,1-2H3,(H,24,26)/t15-,16+,19+/m1/s1.
What are the key properties of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide?
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 362.47 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 98750987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).