3-(3-butan-2-yl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)-N,N-dimethylpropanamide

C18H27N3O2 — CID 163292685

IUPAC3-(3-butan-2-yl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)-N,N-dimethylpropanamide
SMILESCCC(C)C1C(=O)Nc2ccccc2CN1CCC(=O)N(C)C
InChIInChI=1S/C18H27N3O2/c1-5-13(2)17-18(23)19-15-9-7-6-8-14(15)12-21(17)11-10-16(22)20(3)4/h6-9,13,17H,5,10-12H2,1-4H3,(H,19,23)
InChIKeyYSQJCJAFLUNJTM-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.33
Rot. Bonds5

About 3-(3-butan-2-yl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)-N,N-dimethylpropanamide

3-(3-butan-2-yl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)-N,N-dimethylpropanamide (PubChem CID 163292685) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-(3-butan-2-yl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(3-butan-2-yl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)-N,N-dimethylpropanamide
PubChem CID163292685
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-(3-butan-2-yl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)-N,N-dimethylpropanamide
SMILESCCC(C)C1C(=O)Nc2ccccc2CN1CCC(=O)N(C)C
InChIInChI=1S/C18H27N3O2/c1-5-13(2)17-18(23)19-15-9-7-6-8-14(15)12-21(17)11-10-16(22)20(3)4/h6-9,13,17H,5,10-12H2,1-4H3,(H,19,23)
InChIKeyYSQJCJAFLUNJTM-UHFFFAOYSA-N
XLogP2.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-butan-2-yl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)-N,N-dimethylpropanamide with MolForge

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Related Compounds

(3S)-3-[(2S)-butan-2-yl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
CID 163293286
(3S)-N,N-dimethyl-2-oxo-3-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
CID 163293110
(3S)-3-[(2S)-butan-2-yl]-N,N-dimethyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-sulfonamide
CID 163293186
(3S)-3-[(2S)-butan-2-yl]-4-(4-methylpiperazine-1-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 163293310
3-[(2S)-butan-2-yl]-4-(2-hydroxy-2-methylpropanoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 175488924
1-[3-(3-butan-2-yl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 163293229
(3S)-3-[(2S)-butan-2-yl]-4-(3,3-difluoroazetidine-1-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 163293022
(3S)-3-[(2S)-butan-2-yl]-N'-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboximidamide
CID 172720124
3-[(2S)-butan-2-yl]-N'-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboximidamide
CID 175488749
3-butan-2-yl-4-(3-hydroxy-3-methylazetidine-1-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 163293237
(3S)-N-(2-acetamidoethyl)-3-[(2S)-butan-2-yl]-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
CID 163292689
N-[amino-(3-butan-2-yl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)methylidene]acetamide
CID 163292531

Frequently Asked Questions

What is the IUPAC name of 3-(3-butan-2-yl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(3-butan-2-yl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)-N,N-dimethylpropanamide (CID 163292685) is 3-(3-butan-2-yl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(3-butan-2-yl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(3-butan-2-yl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)-N,N-dimethylpropanamide is CCC(C)C1C(=O)Nc2ccccc2CN1CCC(=O)N(C)C.
What is the InChIKey of 3-(3-butan-2-yl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)-N,N-dimethylpropanamide?
The InChIKey is YSQJCJAFLUNJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-5-13(2)17-18(23)19-15-9-7-6-8-14(15)12-21(17)11-10-16(22)20(3)4/h6-9,13,17H,5,10-12H2,1-4H3,(H,19,23).
What are the key properties of 3-(3-butan-2-yl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)-N,N-dimethylpropanamide?
3-(3-butan-2-yl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)-N,N-dimethylpropanamide has a molecular weight of 317.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butan-2-yl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 163292685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).