3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide

C24H27N3O4 — CID 22694279

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCc1ccc(C(CNC(=O)CCN2C(=O)c3ccccc3C2=O)N2CCOCC2)cc1
InChIInChI=1S/C24H27N3O4/c1-17-6-8-18(9-7-17)21(26-12-14-31-15-13-26)16-25-22(28)10-11-27-23(29)19-4-2-3-5-20(19)24(27)30/h2-9,21H,10-16H2,1H3,(H,25,28)
InChIKeyIDRYEWIVPWLRQW-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.17
Rot. Bonds7

About 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide (PubChem CID 22694279) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide
PubChem CID22694279
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCc1ccc(C(CNC(=O)CCN2C(=O)c3ccccc3C2=O)N2CCOCC2)cc1
InChIInChI=1S/C24H27N3O4/c1-17-6-8-18(9-7-17)21(26-12-14-31-15-13-26)16-25-22(28)10-11-27-23(29)19-4-2-3-5-20(19)24(27)30/h2-9,21H,10-16H2,1H3,(H,25,28)
InChIKeyIDRYEWIVPWLRQW-UHFFFAOYSA-N
XLogP2.17
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.17
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-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 8798720
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 18588986
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride
CID 52984360
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 55329042
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 119859927
4-(4-methylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 110302631
4-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pentanamide;dihydrochloride
CID 120564908
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 55899307
3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide
CID 9125353
N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835176
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenyl)acetamide
CID 17459584

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide (CID 22694279) is 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide is Cc1ccc(C(CNC(=O)CCN2C(=O)c3ccccc3C2=O)N2CCOCC2)cc1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide?
The InChIKey is IDRYEWIVPWLRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-17-6-8-18(9-7-17)21(26-12-14-31-15-13-26)16-25-22(28)10-11-27-23(29)19-4-2-3-5-20(19)24(27)30/h2-9,21H,10-16H2,1H3,(H,25,28).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide has a molecular weight of 421.50 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide is sourced from PubChem (CID 22694279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).