N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-phenylpropanamide

C20H22N2O3 — CID 16820495

IUPACN-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-phenylpropanamide
SMILESCC1(C)COc2ccc(NC(=O)CCc3ccccc3)cc2NC1=O
InChIInChI=1S/C20H22N2O3/c1-20(2)13-25-17-10-9-15(12-16(17)22-19(20)24)21-18(23)11-8-14-6-4-3-5-7-14/h3-7,9-10,12H,8,11,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKJFARXMNZURXDQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.62
Rot. Bonds4

About N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-phenylpropanamide

N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-phenylpropanamide (PubChem CID 16820495) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-phenylpropanamide
PubChem CID16820495
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-phenylpropanamide
SMILESCC1(C)COc2ccc(NC(=O)CCc3ccccc3)cc2NC1=O
InChIInChI=1S/C20H22N2O3/c1-20(2)13-25-17-10-9-15(12-16(17)22-19(20)24)21-18(23)11-8-14-6-4-3-5-7-14/h3-7,9-10,12H,8,11,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKJFARXMNZURXDQ-UHFFFAOYSA-N
XLogP3.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2'-Methoxy-2-phenylacetanilide
CID 258229
(3S)-3-(cyclopropylmethylamino)-1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-phenylpropan-1-one
CID 145422113
N-(2-methoxy-5-nitrophenyl)-4-phenyltetrahydro-2H-pyran-4-carboxamide
CID 1260384
N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide
CID 674958
N-(4-(3-morpholinopropoxy)phenyl)-2-phenylacetamide
CID 25014774
N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]decanamide
CID 135265397
N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]hexanamide
CID 135265446
N-(2-methoxyphenyl)-1-phenylcyclopentanecarboxamide
CID 741483
N-(4-ethoxyphenyl)-2-phenylacetamide
CID 791639
N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)acetamide
CID 891067
N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 2932400
N-(2,4-dimethoxyphenyl)-4-phenylbutanamide
CID 886034

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-phenylpropanamide?
The IUPAC name of N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-phenylpropanamide (CID 16820495) is N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-phenylpropanamide?
The canonical SMILES for N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-phenylpropanamide is CC1(C)COc2ccc(NC(=O)CCc3ccccc3)cc2NC1=O.
What is the InChIKey of N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-phenylpropanamide?
The InChIKey is KJFARXMNZURXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-20(2)13-25-17-10-9-15(12-16(17)22-19(20)24)21-18(23)11-8-14-6-4-3-5-7-14/h3-7,9-10,12H,8,11,13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-phenylpropanamide?
N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-phenylpropanamide has a molecular weight of 338.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-phenylpropanamide is sourced from PubChem (CID 16820495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).