2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

C22H29N3O3 — CID 18148334

IUPAC2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C22H29N3O3/c1-17-18-7-3-4-8-19(18)21(27)25(17)15-20(26)23-16-22(9-5-2-6-10-22)24-11-13-28-14-12-24/h3-4,7-8H,1-2,5-6,9-16H2,(H,23,26)
InChIKeyMMZYLQIDJSEWGW-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.26
Rot. Bonds5

About 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (PubChem CID 18148334) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
PubChem CID18148334
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C22H29N3O3/c1-17-18-7-3-4-8-19(18)21(27)25(17)15-20(26)23-16-22(9-5-2-6-10-22)24-11-13-28-14-12-24/h3-4,7-8H,1-2,5-6,9-16H2,(H,23,26)
InChIKeyMMZYLQIDJSEWGW-UHFFFAOYSA-N
XLogP2.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 111433260
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 55451163
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 31328500
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-morpholin-4-ylcycloheptyl)methyl]acetamide
CID 131914905
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 17427029
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55609860
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16559242
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 32753985
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 18157247
2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4629546
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 17466380

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (CID 18148334) is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is C=C1c2ccccc2C(=O)N1CC(=O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The InChIKey is MMZYLQIDJSEWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-17-18-7-3-4-8-19(18)21(27)25(17)15-20(26)23-16-22(9-5-2-6-10-22)24-11-13-28-14-12-24/h3-4,7-8H,1-2,5-6,9-16H2,(H,23,26).
What are the key properties of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 383.49 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 18148334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).