N-[3-(2-cyclohexylimino-1-pyridinyl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide

C23H29N3O3 — CID 46696415

IUPACN-[3-(2-cyclohexylimino-1-pyridinyl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
SMILESCOc1ccc(C(CC(=O)n2cccc/c2=N\C2CCCCC2)NC(C)=O)cc1
InChIInChI=1S/C23H29N3O3/c1-17(27)24-21(18-11-13-20(29-2)14-12-18)16-23(28)26-15-7-6-10-22(26)25-19-8-4-3-5-9-19/h6-7,10-15,19,21H,3-5,8-9,16H2,1-2H3,(H,24,27)/b25-22+
InChIKeyPJLYSTDXNDAOFZ-YYDJUVGSSA-N
MW395.50 g/mol
LogP3.64
Rot. Bonds6

About N-[3-(2-cyclohexylimino-1-pyridinyl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide

N-[3-(2-cyclohexylimino-1-pyridinyl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide (PubChem CID 46696415) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[3-(2-cyclohexylimino-1-pyridinyl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-cyclohexylimino-1-pyridinyl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
PubChem CID46696415
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[3-(2-cyclohexylimino-1-pyridinyl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
SMILESCOc1ccc(C(CC(=O)n2cccc/c2=N\C2CCCCC2)NC(C)=O)cc1
InChIInChI=1S/C23H29N3O3/c1-17(27)24-21(18-11-13-20(29-2)14-12-18)16-23(28)26-15-7-6-10-22(26)25-19-8-4-3-5-9-19/h6-7,10-15,19,21H,3-5,8-9,16H2,1-2H3,(H,24,27)/b25-22+
InChIKeyPJLYSTDXNDAOFZ-YYDJUVGSSA-N
XLogP3.64
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide
CID 51622723
N-[(1S)-3-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 124687153
N-[(1R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 32684720
N-[(1S)-3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 124589509
N-[(1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 32684724
(2-ethylcyclohexyl) 3-acetamido-3-(4-methoxyphenyl)propanoate
CID 78835716
N-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]acetamide
CID 51956415
N-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 24513313
N-[3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 126777176
1-[3-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 42920354
N-[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]acetamide
CID 55919317
(3S)-3-acetamido-N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 51951548

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclohexylimino-1-pyridinyl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
The IUPAC name of N-[3-(2-cyclohexylimino-1-pyridinyl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide (CID 46696415) is N-[3-(2-cyclohexylimino-1-pyridinyl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-(2-cyclohexylimino-1-pyridinyl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-(2-cyclohexylimino-1-pyridinyl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide is COc1ccc(C(CC(=O)n2cccc/c2=N\C2CCCCC2)NC(C)=O)cc1.
What is the InChIKey of N-[3-(2-cyclohexylimino-1-pyridinyl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
The InChIKey is PJLYSTDXNDAOFZ-YYDJUVGSSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17(27)24-21(18-11-13-20(29-2)14-12-18)16-23(28)26-15-7-6-10-22(26)25-19-8-4-3-5-9-19/h6-7,10-15,19,21H,3-5,8-9,16H2,1-2H3,(H,24,27)/b25-22+.
What are the key properties of N-[3-(2-cyclohexylimino-1-pyridinyl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
N-[3-(2-cyclohexylimino-1-pyridinyl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyclohexylimino-1-pyridinyl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide is sourced from PubChem (CID 46696415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).