N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-phenylacetamide

C19H20N2O2 — CID 146122799

IUPACN-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-phenylacetamide
SMILESCN(C(=O)CN1C(=O)CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-20(16-10-3-2-4-11-16)19(23)14-21-17-12-6-5-8-15(17)9-7-13-18(21)22/h2-6,8,10-12H,7,9,13-14H2,1H3
InChIKeyAIJOFTVSDXRIFA-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.02
Rot. Bonds3

About N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-phenylacetamide

N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-phenylacetamide (PubChem CID 146122799) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-phenylacetamide
PubChem CID146122799
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-phenylacetamide
SMILESCN(C(=O)CN1C(=O)CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-20(16-10-3-2-4-11-16)19(23)14-21-17-12-6-5-8-15(17)9-7-13-18(21)22/h2-6,8,10-12H,7,9,13-14H2,1H3
InChIKeyAIJOFTVSDXRIFA-UHFFFAOYSA-N
XLogP3.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-N-methyl-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 126457814
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 50758126
sodium 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetate
CID 143402050
2-methyl-2-[methyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid
CID 119200753
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(1-phenylethyl)acetamide
CID 50758002
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 92742582
N-[(1R,2R)-2-methylcyclopropyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 95702472
5-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)pentanoic acid
CID 43342822
tert-butyl 2-(2-oxo-3,4,5,6-tetrahydro-1-benzazocin-1-yl)acetate
CID 143520690
(E)-4-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)but-2-enoic acid
CID 55065477
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-prop-2-enylacetamide
CID 100831100
3-(2,3-dihydroindol-1-yl)-N-methyl-3-oxo-N-phenylpropanamide
CID 108953153

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-phenylacetamide?
The IUPAC name of N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-phenylacetamide (CID 146122799) is N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-phenylacetamide?
The canonical SMILES for N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-phenylacetamide is CN(C(=O)CN1C(=O)CCCc2ccccc21)c1ccccc1.
What is the InChIKey of N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-phenylacetamide?
The InChIKey is AIJOFTVSDXRIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-20(16-10-3-2-4-11-16)19(23)14-21-17-12-6-5-8-15(17)9-7-13-18(21)22/h2-6,8,10-12H,7,9,13-14H2,1H3.
What are the key properties of N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-phenylacetamide?
N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-phenylacetamide has a molecular weight of 308.38 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-phenylacetamide is sourced from PubChem (CID 146122799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).