3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide

C23H31N3O4 — CID 31328500

IUPAC3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)NCC1(N3CCOCC3)CCCCC1)C2=O
InChIInChI=1S/C23H31N3O4/c1-17-5-6-18-19(15-17)22(29)26(21(18)28)10-7-20(27)24-16-23(8-3-2-4-9-23)25-11-13-30-14-12-25/h5-6,15H,2-4,7-14,16H2,1H3,(H,24,27)
InChIKeyNCKBBDVPLLNLRE-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.13
Rot. Bonds6

About 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide

3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide (PubChem CID 31328500) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
PubChem CID31328500
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)NCC1(N3CCOCC3)CCCCC1)C2=O
InChIInChI=1S/C23H31N3O4/c1-17-5-6-18-19(15-17)22(29)26(21(18)28)10-7-20(27)24-16-23(8-3-2-4-9-23)25-11-13-30-14-12-25/h5-6,15H,2-4,7-14,16H2,1H3,(H,24,27)
InChIKeyNCKBBDVPLLNLRE-UHFFFAOYSA-N
XLogP2.13
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 55451163
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 18148334
3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 39427693
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 8785968
2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 17427029
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
CID 47776606
2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 8641191
3-(1,3-dioxoisoindol-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]propanamide
CID 110292740
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-morpholin-4-ylcycloheptyl)methyl]acetamide
CID 131914905
N-[(1-morpholin-4-ylcyclohexyl)methyl]octanamide
CID 134015029

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The IUPAC name of 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide (CID 31328500) is 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The canonical SMILES for 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide is Cc1ccc2c(c1)C(=O)N(CCC(=O)NCC1(N3CCOCC3)CCCCC1)C2=O.
What is the InChIKey of 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The InChIKey is NCKBBDVPLLNLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-17-5-6-18-19(15-17)22(29)26(21(18)28)10-7-20(27)24-16-23(8-3-2-4-9-23)25-11-13-30-14-12-25/h5-6,15H,2-4,7-14,16H2,1H3,(H,24,27).
What are the key properties of 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide has a molecular weight of 413.52 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 31328500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).