3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[1-(2-methylpropyl)indol-4-yl]propanamide

C24H26N4O3 — CID 71825635

IUPAC3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[1-(2-methylpropyl)indol-4-yl]propanamide
SMILESCC(C)Cn1ccc2c(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)cccc21
InChIInChI=1S/C24H26N4O3/c1-15(2)14-28-13-12-16-18(8-5-9-21(16)28)25-22(29)11-10-20-24(31)26-19-7-4-3-6-17(19)23(30)27-20/h3-9,12-13,15,20H,10-11,14H2,1-2H3,(H,25,29)(H,26,31)(H,27,30)/t20-/m0/s1
InChIKeyAPTKBOLRYUKEHG-FQEVSTJZSA-N
MW418.50 g/mol
LogP3.77
Rot. Bonds6

About 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[1-(2-methylpropyl)indol-4-yl]propanamide

3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[1-(2-methylpropyl)indol-4-yl]propanamide (PubChem CID 71825635) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[1-(2-methylpropyl)indol-4-yl]propanamide.

Molecular Properties

Compound Name3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[1-(2-methylpropyl)indol-4-yl]propanamide
PubChem CID71825635
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[1-(2-methylpropyl)indol-4-yl]propanamide
SMILESCC(C)Cn1ccc2c(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)cccc21
InChIInChI=1S/C24H26N4O3/c1-15(2)14-28-13-12-16-18(8-5-9-21(16)28)25-22(29)11-10-20-24(31)26-19-7-4-3-6-17(19)23(30)27-20/h3-9,12-13,15,20H,10-11,14H2,1-2H3,(H,25,29)(H,26,31)(H,27,30)/t20-/m0/s1
InChIKeyAPTKBOLRYUKEHG-FQEVSTJZSA-N
XLogP3.77
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-Fluoro CUMYL-PICA
CID 117650397
2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 2176767
Indole-3-glyoxylamide, N-isopropyl-1-methyl-
CID 41501
Mdmb-chmica
CID 125181404
(3s)-3-(1h-Indol-3-Ylmethyl)-3,4-Dihydro-1h-1,4-Benzodiazepine-2,5-Dione
CID 10017963
Fumiquinazoline F
CID 10089772
5-Fluoro-AMB-PICA
CID 119058037
N-(indol-3-ylglyoxylyl)benzylamine
CID 3149447
1-methyl-N-phenyl-1H-indole-3-carboxamide
CID 9038340
N-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2068180
2-(1H-Indol-3-yl)-2-oxo-N-p-tolyl-acetamide
CID 3149444
Fiscalin B
CID 10091548

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[1-(2-methylpropyl)indol-4-yl]propanamide?
The IUPAC name of 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[1-(2-methylpropyl)indol-4-yl]propanamide (CID 71825635) is 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[1-(2-methylpropyl)indol-4-yl]propanamide.
What is the SMILES notation for 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[1-(2-methylpropyl)indol-4-yl]propanamide?
The canonical SMILES for 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[1-(2-methylpropyl)indol-4-yl]propanamide is CC(C)Cn1ccc2c(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)cccc21.
What is the InChIKey of 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[1-(2-methylpropyl)indol-4-yl]propanamide?
The InChIKey is APTKBOLRYUKEHG-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-15(2)14-28-13-12-16-18(8-5-9-21(16)28)25-22(29)11-10-20-24(31)26-19-7-4-3-6-17(19)23(30)27-20/h3-9,12-13,15,20H,10-11,14H2,1-2H3,(H,25,29)(H,26,31)(H,27,30)/t20-/m0/s1.
What are the key properties of 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[1-(2-methylpropyl)indol-4-yl]propanamide?
3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[1-(2-methylpropyl)indol-4-yl]propanamide has a molecular weight of 418.50 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[1-(2-methylpropyl)indol-4-yl]propanamide is sourced from PubChem (CID 71825635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).