6-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

C16H24N2O2 — CID 155461788

IUPAC6-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCC(C)(C)NC[C@H](O)c1cccc2c1CCCC(=O)N2
InChIInChI=1S/C16H24N2O2/c1-16(2,3)17-10-14(19)12-7-4-8-13-11(12)6-5-9-15(20)18-13/h4,7-8,14,17,19H,5-6,9-10H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyCTSFPVWLSQSNEY-AWEZNQCLSA-N
MW276.38 g/mol
LogP2.38
Rot. Bonds3

About 6-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

6-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 155461788) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name6-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID155461788
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name6-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCC(C)(C)NC[C@H](O)c1cccc2c1CCCC(=O)N2
InChIInChI=1S/C16H24N2O2/c1-16(2,3)17-10-14(19)12-7-4-8-13-11(12)6-5-9-15(20)18-13/h4,7-8,14,17,19H,5-6,9-10H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyCTSFPVWLSQSNEY-AWEZNQCLSA-N
XLogP2.38
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one with MolForge

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Related Compounds

AO-548/43196829
CID 11841386
N-[3-(1-hydroxyethyl)phenyl]-4-phenylbutanamide
CID 11841414
N-[4-(5-hydroxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
CID 132822146
N-[4-[(5R)-5-hydroxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 137648906
N-[4-[(5S)-5-hydroxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 137652605
N-[3-(1-hydroxyethyl)phenyl]pentanamide
CID 9551959
2-(4-acetamidophenyl)-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide
CID 44270963
N-(6-amino-5-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)acetamide
CID 44324107
N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-propylpentanamide
CID 40793142
2-(2-oxoazepan-3-yl)-N-[2-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]acetamide
CID 121547816
2-(7-oxoazepan-2-yl)-N-[2-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]acetamide
CID 121547817
(4R)-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 59378001

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 6-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 155461788) is 6-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 6-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 6-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is CC(C)(C)NC[C@H](O)c1cccc2c1CCCC(=O)N2.
What is the InChIKey of 6-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is CTSFPVWLSQSNEY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)17-10-14(19)12-7-4-8-13-11(12)6-5-9-15(20)18-13/h4,7-8,14,17,19H,5-6,9-10H2,1-3H3,(H,18,20)/t14-/m0/s1.
What are the key properties of 6-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
6-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 155461788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).