N-[1-(4-methoxyphenyl)cyclohexyl]-2-(1-oxophthalazin-2-yl)acetamide

C23H25N3O3 — CID 16674696

IUPACN-[1-(4-methoxyphenyl)cyclohexyl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESCOc1ccc(C2(NC(=O)Cn3ncc4ccccc4c3=O)CCCCC2)cc1
InChIInChI=1S/C23H25N3O3/c1-29-19-11-9-18(10-12-19)23(13-5-2-6-14-23)25-21(27)16-26-22(28)20-8-4-3-7-17(20)15-24-26/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H,25,27)
InChIKeyKUYDDGKLCQSNLQ-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.38
Rot. Bonds5

About N-[1-(4-methoxyphenyl)cyclohexyl]-2-(1-oxophthalazin-2-yl)acetamide

N-[1-(4-methoxyphenyl)cyclohexyl]-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 16674696) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)cyclohexyl]-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)cyclohexyl]-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID16674696
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[1-(4-methoxyphenyl)cyclohexyl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESCOc1ccc(C2(NC(=O)Cn3ncc4ccccc4c3=O)CCCCC2)cc1
InChIInChI=1S/C23H25N3O3/c1-29-19-11-9-18(10-12-19)23(13-5-2-6-14-23)25-21(27)16-26-22(28)20-8-4-3-7-17(20)15-24-26/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H,25,27)
InChIKeyKUYDDGKLCQSNLQ-UHFFFAOYSA-N
XLogP3.38
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide
CID 110478988
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[1-(4-methoxyphenyl)cyclopentyl]acetamide
CID 71935168
methyl 4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzoate
CID 27687032
N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide
CID 110477390
N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369051
N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369028
N-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 119619251
4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide
CID 119309997
N-[1-(4-methoxyphenyl)cyclopropyl]propanamide
CID 113091106
2-(4-methoxy-1-oxophthalazin-2-yl)-N-(1-methylcyclobutyl)acetamide
CID 46971133
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9368902
N-[3-(2-methoxyethoxy)phenyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 55878594

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)cyclohexyl]-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)cyclohexyl]-2-(1-oxophthalazin-2-yl)acetamide (CID 16674696) is N-[1-(4-methoxyphenyl)cyclohexyl]-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)cyclohexyl]-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)cyclohexyl]-2-(1-oxophthalazin-2-yl)acetamide is COc1ccc(C2(NC(=O)Cn3ncc4ccccc4c3=O)CCCCC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)cyclohexyl]-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is KUYDDGKLCQSNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-29-19-11-9-18(10-12-19)23(13-5-2-6-14-23)25-21(27)16-26-22(28)20-8-4-3-7-17(20)15-24-26/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H,25,27).
What are the key properties of N-[1-(4-methoxyphenyl)cyclohexyl]-2-(1-oxophthalazin-2-yl)acetamide?
N-[1-(4-methoxyphenyl)cyclohexyl]-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 391.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)cyclohexyl]-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 16674696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).