3-cycloheptyl-4-(2-methoxyethyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

C19H28N2O2 — CID 163292906

IUPAC3-cycloheptyl-4-(2-methoxyethyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCOCCN1Cc2ccccc2NC(=O)C1C1CCCCCC1
InChIInChI=1S/C19H28N2O2/c1-23-13-12-21-14-16-10-6-7-11-17(16)20-19(22)18(21)15-8-4-2-3-5-9-15/h6-7,10-11,15,18H,2-5,8-9,12-14H2,1H3,(H,20,22)
InChIKeyUZKQHCMXQPHGKV-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.43
Rot. Bonds4

About 3-cycloheptyl-4-(2-methoxyethyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

3-cycloheptyl-4-(2-methoxyethyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 163292906) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-cycloheptyl-4-(2-methoxyethyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-cycloheptyl-4-(2-methoxyethyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID163292906
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-cycloheptyl-4-(2-methoxyethyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCOCCN1Cc2ccccc2NC(=O)C1C1CCCCCC1
InChIInChI=1S/C19H28N2O2/c1-23-13-12-21-14-16-10-6-7-11-17(16)20-19(22)18(21)15-8-4-2-3-5-9-15/h6-7,10-11,15,18H,2-5,8-9,12-14H2,1H3,(H,20,22)
InChIKeyUZKQHCMXQPHGKV-UHFFFAOYSA-N
XLogP3.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-3-cyclohexyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 163292969
(3S)-3-[4-(2-methoxyethyl)piperazin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 124726082
4-(2-methoxyethylsulfonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 65365799
4-(2-methoxyethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline
CID 25188279
4-(cyclohexanecarbonyl)-3-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 65365938
ethane;4-methyl-3-(2-oxopropyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 91068353
(3S)-3-[(2S)-butan-2-yl]-4-(2-methoxyethylsulfonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 163292609
(3S)-3-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 99824408
(3S)-2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104895842
3-methyl-4-(2-propan-2-yloxyacetyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 115949461
4-benzyl-3-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 56930705
6a,7,8,11-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,9-dione
CID 11820613

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-4-(2-methoxyethyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 3-cycloheptyl-4-(2-methoxyethyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 163292906) is 3-cycloheptyl-4-(2-methoxyethyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 3-cycloheptyl-4-(2-methoxyethyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-cycloheptyl-4-(2-methoxyethyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one is COCCN1Cc2ccccc2NC(=O)C1C1CCCCCC1.
What is the InChIKey of 3-cycloheptyl-4-(2-methoxyethyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is UZKQHCMXQPHGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-23-13-12-21-14-16-10-6-7-11-17(16)20-19(22)18(21)15-8-4-2-3-5-9-15/h6-7,10-11,15,18H,2-5,8-9,12-14H2,1H3,(H,20,22).
What are the key properties of 3-cycloheptyl-4-(2-methoxyethyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
3-cycloheptyl-4-(2-methoxyethyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 316.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-4-(2-methoxyethyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 163292906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).