(3S)-3-(1H-indol-3-ylmethyl)-3-methyl-1-naphthalen-1-yl-1,4-diazepane-2,5-dione

C25H23N3O2 — CID 69364661

IUPAC(3S)-3-(1H-indol-3-ylmethyl)-3-methyl-1-naphthalen-1-yl-1,4-diazepane-2,5-dione
SMILESC[C@@]1(Cc2c[nH]c3ccccc23)NC(=O)CCN(c2cccc3ccccc23)C1=O
InChIInChI=1S/C25H23N3O2/c1-25(15-18-16-26-21-11-5-4-9-19(18)21)24(30)28(14-13-23(29)27-25)22-12-6-8-17-7-2-3-10-20(17)22/h2-12,16,26H,13-15H2,1H3,(H,27,29)/t25-/m0/s1
InChIKeyYYBDDOYOLINHJR-VWLOTQADSA-N
MW397.48 g/mol
LogP4.18
Rot. Bonds3

About (3S)-3-(1H-indol-3-ylmethyl)-3-methyl-1-naphthalen-1-yl-1,4-diazepane-2,5-dione

(3S)-3-(1H-indol-3-ylmethyl)-3-methyl-1-naphthalen-1-yl-1,4-diazepane-2,5-dione (PubChem CID 69364661) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is (3S)-3-(1H-indol-3-ylmethyl)-3-methyl-1-naphthalen-1-yl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(1H-indol-3-ylmethyl)-3-methyl-1-naphthalen-1-yl-1,4-diazepane-2,5-dione
PubChem CID69364661
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name(3S)-3-(1H-indol-3-ylmethyl)-3-methyl-1-naphthalen-1-yl-1,4-diazepane-2,5-dione
SMILESC[C@@]1(Cc2c[nH]c3ccccc23)NC(=O)CCN(c2cccc3ccccc23)C1=O
InChIInChI=1S/C25H23N3O2/c1-25(15-18-16-26-21-11-5-4-9-19(18)21)24(30)28(14-13-23(29)27-25)22-12-6-8-17-7-2-3-10-20(17)22/h2-12,16,26H,13-15H2,1H3,(H,27,29)/t25-/m0/s1
InChIKeyYYBDDOYOLINHJR-VWLOTQADSA-N
XLogP4.18
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(1H-indol-3-ylmethyl)-3-methyl-1-naphthalen-1-yl-1,4-diazepane-2,5-dione with MolForge

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Related Compounds

3-ethyl-1-(2-iodophenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64963296
1-naphthalen-1-yl-1,4-diazepane-2,5-dione
CID 64956427
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 41131905
1-(1H-indol-3-ylmethyl)-4-methylpiperidine-4-carboxylic acid
CID 65065153
N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 112986190
2-(1H-indol-3-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 31435242
3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 674171
3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole
CID 878346
4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-2H-isoquinolin-1-one
CID 166265222
N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 8016683
7-naphthalen-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione
CID 81156365
5,5-dimethyl-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 101253914

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1H-indol-3-ylmethyl)-3-methyl-1-naphthalen-1-yl-1,4-diazepane-2,5-dione?
The IUPAC name of (3S)-3-(1H-indol-3-ylmethyl)-3-methyl-1-naphthalen-1-yl-1,4-diazepane-2,5-dione (CID 69364661) is (3S)-3-(1H-indol-3-ylmethyl)-3-methyl-1-naphthalen-1-yl-1,4-diazepane-2,5-dione.
What is the SMILES notation for (3S)-3-(1H-indol-3-ylmethyl)-3-methyl-1-naphthalen-1-yl-1,4-diazepane-2,5-dione?
The canonical SMILES for (3S)-3-(1H-indol-3-ylmethyl)-3-methyl-1-naphthalen-1-yl-1,4-diazepane-2,5-dione is C[C@@]1(Cc2c[nH]c3ccccc23)NC(=O)CCN(c2cccc3ccccc23)C1=O.
What is the InChIKey of (3S)-3-(1H-indol-3-ylmethyl)-3-methyl-1-naphthalen-1-yl-1,4-diazepane-2,5-dione?
The InChIKey is YYBDDOYOLINHJR-VWLOTQADSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-25(15-18-16-26-21-11-5-4-9-19(18)21)24(30)28(14-13-23(29)27-25)22-12-6-8-17-7-2-3-10-20(17)22/h2-12,16,26H,13-15H2,1H3,(H,27,29)/t25-/m0/s1.
What are the key properties of (3S)-3-(1H-indol-3-ylmethyl)-3-methyl-1-naphthalen-1-yl-1,4-diazepane-2,5-dione?
(3S)-3-(1H-indol-3-ylmethyl)-3-methyl-1-naphthalen-1-yl-1,4-diazepane-2,5-dione has a molecular weight of 397.48 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1H-indol-3-ylmethyl)-3-methyl-1-naphthalen-1-yl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 69364661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).