N-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1,2]benzoxazol-7-yl]acetamide

C18H15N3O4 — CID 166649115

IUPACN-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1,2]benzoxazol-7-yl]acetamide
SMILESCC(=O)Nc1ccc2c(ccc3onc([C@@H]4CCC(=O)NC4=O)c32)c1
InChIInChI=1S/C18H15N3O4/c1-9(22)19-11-3-4-12-10(8-11)2-6-14-16(12)17(21-25-14)13-5-7-15(23)20-18(13)24/h2-4,6,8,13H,5,7H2,1H3,(H,19,22)(H,20,23,24)/t13-/m0/s1
InChIKeyYOOGIDQRPXEFRJ-ZDUSSCGKSA-N
MW337.34 g/mol
LogP2.46
Rot. Bonds2

About N-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1,2]benzoxazol-7-yl]acetamide

N-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1,2]benzoxazol-7-yl]acetamide (PubChem CID 166649115) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1,2]benzoxazol-7-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1,2]benzoxazol-7-yl]acetamide
PubChem CID166649115
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC NameN-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1,2]benzoxazol-7-yl]acetamide
SMILESCC(=O)Nc1ccc2c(ccc3onc([C@@H]4CCC(=O)NC4=O)c32)c1
InChIInChI=1S/C18H15N3O4/c1-9(22)19-11-3-4-12-10(8-11)2-6-14-16(12)17(21-25-14)13-5-7-15(23)20-18(13)24/h2-4,6,8,13H,5,7H2,1H3,(H,19,22)(H,20,23,24)/t13-/m0/s1
InChIKeyYOOGIDQRPXEFRJ-ZDUSSCGKSA-N
XLogP2.46
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1,2]benzoxazol-7-yl]acetamide?
The IUPAC name of N-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1,2]benzoxazol-7-yl]acetamide (CID 166649115) is N-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1,2]benzoxazol-7-yl]acetamide.
What is the SMILES notation for N-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1,2]benzoxazol-7-yl]acetamide?
The canonical SMILES for N-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1,2]benzoxazol-7-yl]acetamide is CC(=O)Nc1ccc2c(ccc3onc([C@@H]4CCC(=O)NC4=O)c32)c1.
What is the InChIKey of N-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1,2]benzoxazol-7-yl]acetamide?
The InChIKey is YOOGIDQRPXEFRJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-9(22)19-11-3-4-12-10(8-11)2-6-14-16(12)17(21-25-14)13-5-7-15(23)20-18(13)24/h2-4,6,8,13H,5,7H2,1H3,(H,19,22)(H,20,23,24)/t13-/m0/s1.
What are the key properties of N-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1,2]benzoxazol-7-yl]acetamide?
N-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1,2]benzoxazol-7-yl]acetamide has a molecular weight of 337.34 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1,2]benzoxazol-7-yl]acetamide is sourced from PubChem (CID 166649115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).