7-methyl-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide

C16H22N2O3 — CID 128917408

IUPAC7-methyl-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
SMILESCc1ccc2c(c1)CN(C(=O)NC1COC(C)C1)CCO2
InChIInChI=1S/C16H22N2O3/c1-11-3-4-15-13(7-11)9-18(5-6-20-15)16(19)17-14-8-12(2)21-10-14/h3-4,7,12,14H,5-6,8-10H2,1-2H3,(H,17,19)
InChIKeyMAQYNMOVHSRIDP-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.08
Rot. Bonds1

About 7-methyl-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide

7-methyl-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide (PubChem CID 128917408) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 7-methyl-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
PubChem CID128917408
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name7-methyl-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
SMILESCc1ccc2c(c1)CN(C(=O)NC1COC(C)C1)CCO2
InChIInChI=1S/C16H22N2O3/c1-11-3-4-15-13(7-11)9-18(5-6-20-15)16(19)17-14-8-12(2)21-10-14/h3-4,7,12,14H,5-6,8-10H2,1-2H3,(H,17,19)
InChIKeyMAQYNMOVHSRIDP-UHFFFAOYSA-N
XLogP2.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 128917405
3-chloro-1-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one
CID 121203486
2-amino-1-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one
CID 121203488
N-cyclopentyl-7-(diethylaminomethyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 91912129
4-[(7-bromo-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024036
3,4-dihydro-1H-isochromen-1-yl-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 126808039
N-[3-[(1R)-1-methoxyethyl]phenyl]-7-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 125458978
7-[[acetyl(methyl)amino]methyl]-N-(4-methylphenyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 90383615
7-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 46994855
N-[2-(12,16-dimethyl-9-phenyl-2-oxa-5,12-diazabicyclo[12.4.0]octadeca-1(14),15,17-trien-5-yl)-2-oxoethyl]acetamide
CID 165423255
N-(4,4-dimethyloxolan-3-yl)-8-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 132970938
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylcyclobutyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 127726775

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
The IUPAC name of 7-methyl-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide (CID 128917408) is 7-methyl-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide.
What is the SMILES notation for 7-methyl-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
The canonical SMILES for 7-methyl-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide is Cc1ccc2c(c1)CN(C(=O)NC1COC(C)C1)CCO2.
What is the InChIKey of 7-methyl-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
The InChIKey is MAQYNMOVHSRIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-3-4-15-13(7-11)9-18(5-6-20-15)16(19)17-14-8-12(2)21-10-14/h3-4,7,12,14H,5-6,8-10H2,1-2H3,(H,17,19).
What are the key properties of 7-methyl-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
7-methyl-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide is sourced from PubChem (CID 128917408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).