N-(2-hydroxyethyl)-2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-7-carboxamide

C14H18N2O4 — CID 94980333

IUPACN-(2-hydroxyethyl)-2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-7-carboxamide
SMILESCC1(C)CC(=O)Nc2cc(C(=O)NCCO)ccc2O1
InChIInChI=1S/C14H18N2O4/c1-14(2)8-12(18)16-10-7-9(3-4-11(10)20-14)13(19)15-5-6-17/h3-4,7,17H,5-6,8H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyAEARSCFFKVVBIN-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.91
Rot. Bonds3

About N-(2-hydroxyethyl)-2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-7-carboxamide

N-(2-hydroxyethyl)-2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-7-carboxamide (PubChem CID 94980333) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-7-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-7-carboxamide
PubChem CID94980333
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(2-hydroxyethyl)-2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-7-carboxamide
SMILESCC1(C)CC(=O)Nc2cc(C(=O)NCCO)ccc2O1
InChIInChI=1S/C14H18N2O4/c1-14(2)8-12(18)16-10-7-9(3-4-11(10)20-14)13(19)15-5-6-17/h3-4,7,17H,5-6,8H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyAEARSCFFKVVBIN-UHFFFAOYSA-N
XLogP0.91
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 18765684
7-chloro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one
CID 104523490
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 83274535
7-amino-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one
CID 82230427
2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-8-carboxylic acid
CID 82231700
N-(2-methylsulfanylethyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 138742180
N-(5-hydroxy-4-methylpentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 103861469
2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-methyl-3H-1-benzofuran-5-carboxamide
CID 110161407
N-[2-(diethylamino)ethyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793220
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 46286909
6-chloro-N-(2-hydroxyethyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 56730099
N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711852

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-7-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-7-carboxamide (CID 94980333) is N-(2-hydroxyethyl)-2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-7-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-7-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-7-carboxamide is CC1(C)CC(=O)Nc2cc(C(=O)NCCO)ccc2O1.
What is the InChIKey of N-(2-hydroxyethyl)-2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-7-carboxamide?
The InChIKey is AEARSCFFKVVBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(2)8-12(18)16-10-7-9(3-4-11(10)20-14)13(19)15-5-6-17/h3-4,7,17H,5-6,8H2,1-2H3,(H,15,19)(H,16,18).
What are the key properties of N-(2-hydroxyethyl)-2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-7-carboxamide?
N-(2-hydroxyethyl)-2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-7-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-7-carboxamide is sourced from PubChem (CID 94980333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).