N-[2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide

C25H32N4O3 — CID 45173045

IUPACN-[2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCCCCC1CN(CCNC(=O)c2cccc(N3CCNC3=O)c2)Cc2ccccc2O1
InChIInChI=1S/C25H32N4O3/c1-2-3-10-22-18-28(17-20-7-4-5-11-23(20)32-22)14-12-26-24(30)19-8-6-9-21(16-19)29-15-13-27-25(29)31/h4-9,11,16,22H,2-3,10,12-15,17-18H2,1H3,(H,26,30)(H,27,31)
InChIKeyLIXISPNBPGFYTF-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.40
Rot. Bonds8

About N-[2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide

N-[2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 45173045) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID45173045
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-[2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCCCCC1CN(CCNC(=O)c2cccc(N3CCNC3=O)c2)Cc2ccccc2O1
InChIInChI=1S/C25H32N4O3/c1-2-3-10-22-18-28(17-20-7-4-5-11-23(20)32-22)14-12-26-24(30)19-8-6-9-21(16-19)29-15-13-27-25(29)31/h4-9,11,16,22H,2-3,10,12-15,17-18H2,1H3,(H,26,30)(H,27,31)
InChIKeyLIXISPNBPGFYTF-UHFFFAOYSA-N
XLogP3.40
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]thiophene-3-carboxamide
CID 45187666
N-[2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-5-methylpyrazine-2-carboxamide
CID 45205053
N-[2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-1,2,5-thiadiazole-3-carboxamide
CID 45178943
2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 45170550
N-[2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]oxolane-3-carboxamide
CID 45184270
N-[2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]pent-4-enamide
CID 45180628
N-(3-cyclopentylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 60504639
3-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide
CID 126465143
2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetic acid
CID 118758994
tert-butyl N-[2-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]ethyl]carbamate
CID 51095782
N-[2-[(2R)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 42429003
3-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 42372483

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide (CID 45173045) is N-[2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide is CCCCC1CN(CCNC(=O)c2cccc(N3CCNC3=O)c2)Cc2ccccc2O1.
What is the InChIKey of N-[2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is LIXISPNBPGFYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-2-3-10-22-18-28(17-20-7-4-5-11-23(20)32-22)14-12-26-24(30)19-8-6-9-21(16-19)29-15-13-27-25(29)31/h4-9,11,16,22H,2-3,10,12-15,17-18H2,1H3,(H,26,30)(H,27,31).
What are the key properties of N-[2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
N-[2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 436.56 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 45173045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).