(3R)-3-butan-2-yl-6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one

C14H26N2O — CID 70667187

IUPAC(3R)-3-butan-2-yl-6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one
SMILESCCC1=C(CC)NC(=O)[C@@H](C(C)CC)N(C)C1
InChIInChI=1S/C14H26N2O/c1-6-10(4)13-14(17)15-12(8-3)11(7-2)9-16(13)5/h10,13H,6-9H2,1-5H3,(H,15,17)/t10?,13-/m1/s1
InChIKeyFDOCYKPLOUUGJP-JLOHTSLTSA-N
MW238.37 g/mol
LogP2.54
Rot. Bonds4

About (3R)-3-butan-2-yl-6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one

(3R)-3-butan-2-yl-6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one (PubChem CID 70667187) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (3R)-3-butan-2-yl-6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one.

Molecular Properties

Compound Name(3R)-3-butan-2-yl-6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one
PubChem CID70667187
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(3R)-3-butan-2-yl-6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one
SMILESCCC1=C(CC)NC(=O)[C@@H](C(C)CC)N(C)C1
InChIInChI=1S/C14H26N2O/c1-6-10(4)13-14(17)15-12(8-3)11(7-2)9-16(13)5/h10,13H,6-9H2,1-5H3,(H,15,17)/t10?,13-/m1/s1
InChIKeyFDOCYKPLOUUGJP-JLOHTSLTSA-N
XLogP2.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3-butan-2-yl-6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6,7-diethyl-4-methyl-4,8-diazaspiro[2.6]non-6-en-9-one
CID 70667172
6-butan-2-yl-3-cyclopropyl-1-methylpiperazine-2,5-dione
CID 64885067
(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
3-butan-2-yl-1-methylpiperazine-2,5-dione
CID 64880533
6-butan-2-yl-3-ethyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64901459
(3S)-3-[(2S)-butan-2-yl]-4-(4-methylpiperazine-1-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 163293310
(3S)-N-(2-acetamidoethyl)-3-[(2S)-butan-2-yl]-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
CID 163292689
3-(3-butan-2-yl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)-N,N-dimethylpropanamide
CID 163292685
N-[2-(3-butan-2-yl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)-2-oxoethyl]acetamide
CID 163292715
(3S)-3-[(2S)-butan-2-yl]-4-(2-methoxyethylsulfonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 163292609
6-butan-2-yl-1-(3-methylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64900962
6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione
CID 64887094

Frequently Asked Questions

What is the IUPAC name of (3R)-3-butan-2-yl-6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one?
The IUPAC name of (3R)-3-butan-2-yl-6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one (CID 70667187) is (3R)-3-butan-2-yl-6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one.
What is the SMILES notation for (3R)-3-butan-2-yl-6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one?
The canonical SMILES for (3R)-3-butan-2-yl-6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one is CCC1=C(CC)NC(=O)[C@@H](C(C)CC)N(C)C1.
What is the InChIKey of (3R)-3-butan-2-yl-6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one?
The InChIKey is FDOCYKPLOUUGJP-JLOHTSLTSA-N. The full InChI is InChI=1S/C14H26N2O/c1-6-10(4)13-14(17)15-12(8-3)11(7-2)9-16(13)5/h10,13H,6-9H2,1-5H3,(H,15,17)/t10?,13-/m1/s1.
What are the key properties of (3R)-3-butan-2-yl-6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one?
(3R)-3-butan-2-yl-6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one has a molecular weight of 238.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-butan-2-yl-6,7-diethyl-4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one is sourced from PubChem (CID 70667187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).