4-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)-4-oxobutanamide

C19H20N2O2 — CID 129269689

IUPAC4-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)-4-oxobutanamide
SMILESNC(=O)CCC(=O)N1Cc2ccccc2CCc2ccccc21
InChIInChI=1S/C19H20N2O2/c20-18(22)11-12-19(23)21-13-16-7-2-1-5-14(16)9-10-15-6-3-4-8-17(15)21/h1-8H,9-13H2,(H2,20,22)
InChIKeyUGNWLKXFWBNFNQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.58
Rot. Bonds3

About 4-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)-4-oxobutanamide

4-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)-4-oxobutanamide (PubChem CID 129269689) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)-4-oxobutanamide
PubChem CID129269689
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)-4-oxobutanamide
SMILESNC(=O)CCC(=O)N1Cc2ccccc2CCc2ccccc21
InChIInChI=1S/C19H20N2O2/c20-18(22)11-12-19(23)21-13-16-7-2-1-5-14(16)9-10-15-6-3-4-8-17(15)21/h1-8H,9-13H2,(H2,20,22)
InChIKeyUGNWLKXFWBNFNQ-UHFFFAOYSA-N
XLogP2.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)-4-oxobutanamide
CID 166530668
2-chloro-1-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)ethanone
CID 125472514
1-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)-5-methyl-4-methylidenehexan-1-one
CID 175610033
4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanamide;molecular hydrogen
CID 176713227
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 583481
4-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butan-1-one;hydrochloride
CID 119294298
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]urea
CID 154933986
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002

Frequently Asked Questions

What is the IUPAC name of 4-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)-4-oxobutanamide?
The IUPAC name of 4-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)-4-oxobutanamide (CID 129269689) is 4-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)-4-oxobutanamide?
The canonical SMILES for 4-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)-4-oxobutanamide is NC(=O)CCC(=O)N1Cc2ccccc2CCc2ccccc21.
What is the InChIKey of 4-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)-4-oxobutanamide?
The InChIKey is UGNWLKXFWBNFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c20-18(22)11-12-19(23)21-13-16-7-2-1-5-14(16)9-10-15-6-3-4-8-17(15)21/h1-8H,9-13H2,(H2,20,22).
What are the key properties of 4-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)-4-oxobutanamide?
4-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)-4-oxobutanamide has a molecular weight of 308.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)-4-oxobutanamide is sourced from PubChem (CID 129269689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).