5-[2-(2-hydroxyethylamino)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzoxazepine-4-carboxamide

C14H19N3O4 — CID 173209292

IUPAC5-[2-(2-hydroxyethylamino)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzoxazepine-4-carboxamide
SMILESNC(=O)C1CCOc2ccccc2N1CC(=O)NCCO
InChIInChI=1S/C14H19N3O4/c15-14(20)11-5-8-21-12-4-2-1-3-10(12)17(11)9-13(19)16-6-7-18/h1-4,11,18H,5-9H2,(H2,15,20)(H,16,19)
InChIKeyUJNYJVDSENYVSO-UHFFFAOYSA-N
MW293.32 g/mol
LogP-0.76
Rot. Bonds5

About 5-[2-(2-hydroxyethylamino)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzoxazepine-4-carboxamide

5-[2-(2-hydroxyethylamino)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzoxazepine-4-carboxamide (PubChem CID 173209292) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-[2-(2-hydroxyethylamino)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzoxazepine-4-carboxamide.

Molecular Properties

Compound Name5-[2-(2-hydroxyethylamino)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzoxazepine-4-carboxamide
PubChem CID173209292
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name5-[2-(2-hydroxyethylamino)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzoxazepine-4-carboxamide
SMILESNC(=O)C1CCOc2ccccc2N1CC(=O)NCCO
InChIInChI=1S/C14H19N3O4/c15-14(20)11-5-8-21-12-4-2-1-3-10(12)17(11)9-13(19)16-6-7-18/h1-4,11,18H,5-9H2,(H2,15,20)(H,16,19)
InChIKeyUJNYJVDSENYVSO-UHFFFAOYSA-N
XLogP-0.76
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-hydroxyethylamino)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzoxazepine-4-carboxamide?
The IUPAC name of 5-[2-(2-hydroxyethylamino)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzoxazepine-4-carboxamide (CID 173209292) is 5-[2-(2-hydroxyethylamino)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzoxazepine-4-carboxamide.
What is the SMILES notation for 5-[2-(2-hydroxyethylamino)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzoxazepine-4-carboxamide?
The canonical SMILES for 5-[2-(2-hydroxyethylamino)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzoxazepine-4-carboxamide is NC(=O)C1CCOc2ccccc2N1CC(=O)NCCO.
What is the InChIKey of 5-[2-(2-hydroxyethylamino)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzoxazepine-4-carboxamide?
The InChIKey is UJNYJVDSENYVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c15-14(20)11-5-8-21-12-4-2-1-3-10(12)17(11)9-13(19)16-6-7-18/h1-4,11,18H,5-9H2,(H2,15,20)(H,16,19).
What are the key properties of 5-[2-(2-hydroxyethylamino)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzoxazepine-4-carboxamide?
5-[2-(2-hydroxyethylamino)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzoxazepine-4-carboxamide has a molecular weight of 293.32 g/mol, XLogP of -0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-hydroxyethylamino)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzoxazepine-4-carboxamide is sourced from PubChem (CID 173209292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).