methyl 3-[1-cyclohexyl-3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-4-yl]propanoate

C24H35N3O3 — CID 67624865

IUPACmethyl 3-[1-cyclohexyl-3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-4-yl]propanoate
SMILESCOC(=O)CCC1CN(C2CCCCC2)C(=O)N1c1ccc2c(c1)CCN(C)CC2
InChIInChI=1S/C24H35N3O3/c1-25-14-12-18-8-9-21(16-19(18)13-15-25)27-22(10-11-23(28)30-2)17-26(24(27)29)20-6-4-3-5-7-20/h8-9,16,20,22H,3-7,10-15,17H2,1-2H3
InChIKeyYNRFCSGKJLMFEU-UHFFFAOYSA-N
MW413.56 g/mol
LogP3.61
Rot. Bonds5

About methyl 3-[1-cyclohexyl-3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-4-yl]propanoate

methyl 3-[1-cyclohexyl-3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-4-yl]propanoate (PubChem CID 67624865) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is methyl 3-[1-cyclohexyl-3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-cyclohexyl-3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-4-yl]propanoate
PubChem CID67624865
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Namemethyl 3-[1-cyclohexyl-3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-4-yl]propanoate
SMILESCOC(=O)CCC1CN(C2CCCCC2)C(=O)N1c1ccc2c(c1)CCN(C)CC2
InChIInChI=1S/C24H35N3O3/c1-25-14-12-18-8-9-21(16-19(18)13-15-25)27-22(10-11-23(28)30-2)17-26(24(27)29)20-6-4-3-5-7-20/h8-9,16,20,22H,3-7,10-15,17H2,1-2H3
InChIKeyYNRFCSGKJLMFEU-UHFFFAOYSA-N
XLogP3.61
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[1-cyclohexyl-3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-4-yl]propanoate with MolForge

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Related Compounds

methyl 3-[3-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-cyclohexyl-2-oxoimidazolidin-4-yl]propanoate
CID 67626388
methyl 3-[3-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-cyclohexyl-2-oxoimidazolidin-4-yl]propanoate;hydrochloride
CID 67626387
methyl 2-[[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]cyclohexyl]amino]acetate
CID 70103829
methyl 3-[4-[3-(3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]cyclohexyl]propanoate
CID 139763854
methyl 3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoate;hydrochloride
CID 18943654
methyl 3-[4-cyclohexyl-3-(3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-4-yl]propanoate
CID 22078022
3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]cyclohexyl]propanoic acid;hydrochloride
CID 18943734
1-(4-cyclopentylpiperazin-1-yl)ethanone;7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 143540790
ethyl 8-[3-[4-(3-ethoxy-3-oxopropyl)cyclohexyl]-2-oxoimidazolidin-1-yl]-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-4-carboxylate;hydrochloride
CID 70104457
3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2,5-dioxoimidazolidin-4-yl]cyclohexyl]propanoic acid
CID 22077853
methyl 4-(methylamino)-5-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate
CID 82347867
methyl 3-[4-[3-methyl-5-oxo-1-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,4-triazol-4-yl]cyclohexyl]propanoate
CID 18943434

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-cyclohexyl-3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-4-yl]propanoate?
The IUPAC name of methyl 3-[1-cyclohexyl-3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-4-yl]propanoate (CID 67624865) is methyl 3-[1-cyclohexyl-3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-4-yl]propanoate.
What is the SMILES notation for methyl 3-[1-cyclohexyl-3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-4-yl]propanoate?
The canonical SMILES for methyl 3-[1-cyclohexyl-3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-4-yl]propanoate is COC(=O)CCC1CN(C2CCCCC2)C(=O)N1c1ccc2c(c1)CCN(C)CC2.
What is the InChIKey of methyl 3-[1-cyclohexyl-3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-4-yl]propanoate?
The InChIKey is YNRFCSGKJLMFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-25-14-12-18-8-9-21(16-19(18)13-15-25)27-22(10-11-23(28)30-2)17-26(24(27)29)20-6-4-3-5-7-20/h8-9,16,20,22H,3-7,10-15,17H2,1-2H3.
What are the key properties of methyl 3-[1-cyclohexyl-3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-4-yl]propanoate?
methyl 3-[1-cyclohexyl-3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-4-yl]propanoate has a molecular weight of 413.56 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-cyclohexyl-3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-4-yl]propanoate is sourced from PubChem (CID 67624865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).