N-tert-butyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carboxamide

C15H20N2O2 — CID 114336650

IUPACN-tert-butyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCCC(=O)c2ccccc21
InChIInChI=1S/C15H20N2O2/c1-15(2,3)16-14(19)17-10-6-9-13(18)11-7-4-5-8-12(11)17/h4-5,7-8H,6,9-10H2,1-3H3,(H,16,19)
InChIKeyICRIZLTUNZBSTM-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.98
Rot. Bonds

About N-tert-butyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carboxamide

N-tert-butyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carboxamide (PubChem CID 114336650) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-tert-butyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carboxamide
PubChem CID114336650
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-tert-butyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCCC(=O)c2ccccc21
InChIInChI=1S/C15H20N2O2/c1-15(2,3)16-14(19)17-10-6-9-13(18)11-7-4-5-8-12(11)17/h4-5,7-8H,6,9-10H2,1-3H3,(H,16,19)
InChIKeyICRIZLTUNZBSTM-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropanoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336498
1-(1-methylcyclohexanecarbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 106827391
N-tert-butyl-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide
CID 110669697
1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336602
6-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 28785718
1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336564
1-(3-methylsulfanylpropanoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336610
1-(2-bromobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336539
3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3-methylbutanoic acid
CID 64702390
1-(2-methylpyrazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336551
1-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336661
1-(2-cyclopentylacetyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336606

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carboxamide?
The IUPAC name of N-tert-butyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carboxamide (CID 114336650) is N-tert-butyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carboxamide?
The canonical SMILES for N-tert-butyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carboxamide is CC(C)(C)NC(=O)N1CCCC(=O)c2ccccc21.
What is the InChIKey of N-tert-butyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carboxamide?
The InChIKey is ICRIZLTUNZBSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2,3)16-14(19)17-10-6-9-13(18)11-7-4-5-8-12(11)17/h4-5,7-8H,6,9-10H2,1-3H3,(H,16,19).
What are the key properties of N-tert-butyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carboxamide?
N-tert-butyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carboxamide is sourced from PubChem (CID 114336650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).