2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-methylpentanamide

C28H35N3O3 — CID 18338652

IUPAC2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-methylpentanamide
SMILESCC(C)CC(C(=O)NC1CCCCC1)N1C(=O)c2ccccc2NC(=O)C1Cc1ccccc1
InChIInChI=1S/C28H35N3O3/c1-19(2)17-24(26(32)29-21-13-7-4-8-14-21)31-25(18-20-11-5-3-6-12-20)27(33)30-23-16-10-9-15-22(23)28(31)34/h3,5-6,9-12,15-16,19,21,24-25H,4,7-8,13-14,17-18H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyVZRBJPWCFCBPJS-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.56
Rot. Bonds7

About 2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-methylpentanamide

2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-methylpentanamide (PubChem CID 18338652) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is 2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-methylpentanamide.

Molecular Properties

Compound Name2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-methylpentanamide
PubChem CID18338652
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC Name2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-methylpentanamide
SMILESCC(C)CC(C(=O)NC1CCCCC1)N1C(=O)c2ccccc2NC(=O)C1Cc1ccccc1
InChIInChI=1S/C28H35N3O3/c1-19(2)17-24(26(32)29-21-13-7-4-8-14-21)31-25(18-20-11-5-3-6-12-20)27(33)30-23-16-10-9-15-22(23)28(31)34/h3,5-6,9-12,15-16,19,21,24-25H,4,7-8,13-14,17-18H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyVZRBJPWCFCBPJS-UHFFFAOYSA-N
XLogP4.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-methylpentanamide with MolForge

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Related Compounds

N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 4547476
3-[4-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanamide
CID 18338667
N-cyclopropyl-2,5-dioxo-4-propan-2-yl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide
CID 53384173
N-[2-(cyclohexylamino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 110285122
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 5024298
N-(diethoxyphosphorylmethyl)-4-methyl-2-(3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)pentanamide
CID 18338850
[2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 4517473
(2S)-N-(1-acetylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 39966068
N-cyclohexyl-2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 51829766
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 42901838
(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]pentanamide
CID 51405232
2-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione
CID 118729481

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-methylpentanamide?
The IUPAC name of 2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-methylpentanamide (CID 18338652) is 2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-methylpentanamide.
What is the SMILES notation for 2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-methylpentanamide?
The canonical SMILES for 2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-methylpentanamide is CC(C)CC(C(=O)NC1CCCCC1)N1C(=O)c2ccccc2NC(=O)C1Cc1ccccc1.
What is the InChIKey of 2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-methylpentanamide?
The InChIKey is VZRBJPWCFCBPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3/c1-19(2)17-24(26(32)29-21-13-7-4-8-14-21)31-25(18-20-11-5-3-6-12-20)27(33)30-23-16-10-9-15-22(23)28(31)34/h3,5-6,9-12,15-16,19,21,24-25H,4,7-8,13-14,17-18H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of 2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-methylpentanamide?
2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-methylpentanamide has a molecular weight of 461.61 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-methylpentanamide is sourced from PubChem (CID 18338652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).