N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-2-phenylacetamide

C18H18N2O2 — CID 139617273

IUPACN-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1CCc2ccccc2NC1=O
InChIInChI=1S/C18H18N2O2/c21-17(12-13-6-2-1-3-7-13)19-16-11-10-14-8-4-5-9-15(14)20-18(16)22/h1-9,16H,10-12H2,(H,19,21)(H,20,22)
InChIKeyBGNIRYIVMBFCEA-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.30
Rot. Bonds3

About N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-2-phenylacetamide

N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-2-phenylacetamide (PubChem CID 139617273) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-2-phenylacetamide
PubChem CID139617273
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1CCc2ccccc2NC1=O
InChIInChI=1S/C18H18N2O2/c21-17(12-13-6-2-1-3-7-13)19-16-11-10-14-8-4-5-9-15(14)20-18(16)22/h1-9,16H,10-12H2,(H,19,21)(H,20,22)
InChIKeyBGNIRYIVMBFCEA-UHFFFAOYSA-N
XLogP2.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-methyl-N-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]butanamide
CID 18651454
(Z)-2-amino-3-(benzylamino)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)prop-2-enamide
CID 134354170
5-benzyl-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-1H-1,2,4-triazole-3-carboxamide
CID 90345429
5-benzyl-N-[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 90345427
3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313451
3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide
CID 103313171
methyl-[1-oxo-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]butan-2-yl]carbamic acid
CID 118555701
2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)acetamide
CID 134716939
3-[[1-(hydroxymethyl)cyclobutyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313547
3-(tritylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 66971958
3-(4-cyclobutyltriazol-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)propanamide
CID 166369897
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 98303899

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-2-phenylacetamide?
The IUPAC name of N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-2-phenylacetamide (CID 139617273) is N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-2-phenylacetamide.
What is the SMILES notation for N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-2-phenylacetamide?
The canonical SMILES for N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-2-phenylacetamide is O=C(Cc1ccccc1)NC1CCc2ccccc2NC1=O.
What is the InChIKey of N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-2-phenylacetamide?
The InChIKey is BGNIRYIVMBFCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-17(12-13-6-2-1-3-7-13)19-16-11-10-14-8-4-5-9-15(14)20-18(16)22/h1-9,16H,10-12H2,(H,19,21)(H,20,22).
What are the key properties of N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-2-phenylacetamide?
N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-2-phenylacetamide has a molecular weight of 294.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-2-phenylacetamide is sourced from PubChem (CID 139617273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).