N-[2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]oxolane-3-carboxamide

C22H26N2O3 — CID 45199672

IUPACN-[2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]oxolane-3-carboxamide
SMILESO=C(NCCN1Cc2ccccc2OC(c2ccccc2)C1)C1CCOC1
InChIInChI=1S/C22H26N2O3/c25-22(19-10-13-26-16-19)23-11-12-24-14-18-8-4-5-9-20(18)27-21(15-24)17-6-2-1-3-7-17/h1-9,19,21H,10-16H2,(H,23,25)
InChIKeyHLOBHZCZGWMKEM-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.78
Rot. Bonds5

About N-[2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]oxolane-3-carboxamide

N-[2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]oxolane-3-carboxamide (PubChem CID 45199672) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]oxolane-3-carboxamide
PubChem CID45199672
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]oxolane-3-carboxamide
SMILESO=C(NCCN1Cc2ccccc2OC(c2ccccc2)C1)C1CCOC1
InChIInChI=1S/C22H26N2O3/c25-22(19-10-13-26-16-19)23-11-12-24-14-18-8-4-5-9-20(18)27-21(15-24)17-6-2-1-3-7-17/h1-9,19,21H,10-16H2,(H,23,25)
InChIKeyHLOBHZCZGWMKEM-UHFFFAOYSA-N
XLogP2.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]oxolane-3-carboxamide
CID 45184270
N-[2-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-3-thiophen-2-ylpropanamide
CID 26345173
4-oxo-N-[2-[(2R)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]chromene-2-carboxamide
CID 42421062
5-(3-hydroxy-3-methylbut-1-ynyl)-N-[2-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]furan-2-carboxamide
CID 42364220
(2R)-4-(cyclopropylmethyl)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 42423634
(3R)-N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]oxolane-3-carboxamide
CID 51504785
N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide
CID 51077897
N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propanamide
CID 45231812
N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propanamide
CID 28634478
N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propanamide
CID 45166999
[5-[(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]furan-2-yl]methanol
CID 56853664
N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]cyclohexene-1-carboxamide
CID 45218410

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of N-[2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]oxolane-3-carboxamide (CID 45199672) is N-[2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]oxolane-3-carboxamide is O=C(NCCN1Cc2ccccc2OC(c2ccccc2)C1)C1CCOC1.
What is the InChIKey of N-[2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is HLOBHZCZGWMKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-22(19-10-13-26-16-19)23-11-12-24-14-18-8-4-5-9-20(18)27-21(15-24)17-6-2-1-3-7-17/h1-9,19,21H,10-16H2,(H,23,25).
What are the key properties of N-[2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]oxolane-3-carboxamide?
N-[2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 45199672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).