N-(2-ethyl-1,3-dioxoinden-2-yl)-N-methyl-2-morpholin-4-ylacetamide

C18H22N2O4 — CID 3042221

IUPACN-(2-ethyl-1,3-dioxoinden-2-yl)-N-methyl-2-morpholin-4-ylacetamide
SMILESCCC1(N(C)C(=O)CN2CCOCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H22N2O4/c1-3-18(16(22)13-6-4-5-7-14(13)17(18)23)19(2)15(21)12-20-8-10-24-11-9-20/h4-7H,3,8-12H2,1-2H3
InChIKeyDPLNJSDJRIRCSZ-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.00
Rot. Bonds4

About N-(2-ethyl-1,3-dioxoinden-2-yl)-N-methyl-2-morpholin-4-ylacetamide

N-(2-ethyl-1,3-dioxoinden-2-yl)-N-methyl-2-morpholin-4-ylacetamide (PubChem CID 3042221) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(2-ethyl-1,3-dioxoinden-2-yl)-N-methyl-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(2-ethyl-1,3-dioxoinden-2-yl)-N-methyl-2-morpholin-4-ylacetamide
PubChem CID3042221
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-(2-ethyl-1,3-dioxoinden-2-yl)-N-methyl-2-morpholin-4-ylacetamide
SMILESCCC1(N(C)C(=O)CN2CCOCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H22N2O4/c1-3-18(16(22)13-6-4-5-7-14(13)17(18)23)19(2)15(21)12-20-8-10-24-11-9-20/h4-7H,3,8-12H2,1-2H3
InChIKeyDPLNJSDJRIRCSZ-UHFFFAOYSA-N
XLogP1.00
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-phenylacetamide
CID 60503563
(2S)-2-(N-(2-morpholin-4-ylacetyl)anilino)propanoic acid
CID 18658189
N-[2-(1-ethoxyethenyl)phenyl]-N-methyl-2-morpholin-4-ylacetamide
CID 70176279
N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 16612015
N-ethyl-2-morpholin-4-yl-N-(1-oxo-1,3-benzothiazol-2-yl)acetamide
CID 154424772
(E)-N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)but-2-enamide
CID 177014366
1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 97110715
2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4629546
N,N-dimethylacetamide;ethane;4-ethylmorpholine
CID 164557325
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
4-ethylmorpholine;9H-fluorene
CID 159014323
2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1,3-dioxoinden-2-yl)-N-methyl-2-morpholin-4-ylacetamide?
The IUPAC name of N-(2-ethyl-1,3-dioxoinden-2-yl)-N-methyl-2-morpholin-4-ylacetamide (CID 3042221) is N-(2-ethyl-1,3-dioxoinden-2-yl)-N-methyl-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(2-ethyl-1,3-dioxoinden-2-yl)-N-methyl-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(2-ethyl-1,3-dioxoinden-2-yl)-N-methyl-2-morpholin-4-ylacetamide is CCC1(N(C)C(=O)CN2CCOCC2)C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(2-ethyl-1,3-dioxoinden-2-yl)-N-methyl-2-morpholin-4-ylacetamide?
The InChIKey is DPLNJSDJRIRCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-3-18(16(22)13-6-4-5-7-14(13)17(18)23)19(2)15(21)12-20-8-10-24-11-9-20/h4-7H,3,8-12H2,1-2H3.
What are the key properties of N-(2-ethyl-1,3-dioxoinden-2-yl)-N-methyl-2-morpholin-4-ylacetamide?
N-(2-ethyl-1,3-dioxoinden-2-yl)-N-methyl-2-morpholin-4-ylacetamide has a molecular weight of 330.38 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1,3-dioxoinden-2-yl)-N-methyl-2-morpholin-4-ylacetamide is sourced from PubChem (CID 3042221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).