N-[(2S)-1-(7,8-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide

C17H26N2O — CID 138652303

IUPACN-[(2S)-1-(7,8-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)CN1CCCc2cc(C)c(C)cc2C1
InChIInChI=1S/C17H26N2O/c1-12-8-16-6-5-7-19(10-14(3)18-15(4)20)11-17(16)9-13(12)2/h8-9,14H,5-7,10-11H2,1-4H3,(H,18,20)/t14-/m0/s1
InChIKeyFVMAEQWFEFJOTE-AWEZNQCLSA-N
MW274.41 g/mol
LogP2.58
Rot. Bonds3

About N-[(2S)-1-(7,8-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide

N-[(2S)-1-(7,8-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide (PubChem CID 138652303) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(2S)-1-(7,8-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-(7,8-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide
PubChem CID138652303
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(2S)-1-(7,8-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)CN1CCCc2cc(C)c(C)cc2C1
InChIInChI=1S/C17H26N2O/c1-12-8-16-6-5-7-19(10-14(3)18-15(4)20)11-17(16)9-13(12)2/h8-9,14H,5-7,10-11H2,1-4H3,(H,18,20)/t14-/m0/s1
InChIKeyFVMAEQWFEFJOTE-AWEZNQCLSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-1-(7,8-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide with MolForge

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Related Compounds

N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide
CID 138651704
2-(hydroxyamino)-N-[(2S)-1-(1,3,4,5,7,8,9,10-octahydrobenzo[h][2]benzazepin-2-yl)propan-2-yl]acetamide
CID 138652283
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024
N-[(2S)-1-(8-tert-butyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]-2-(hydroxyamino)acetamide
CID 138651678
tert-butyl N-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]carbamate
CID 174380521
(2Z)-N-[(2S)-1-(8-tert-butyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]-2-hydroxyiminoacetamide
CID 138652270
(2Z)-N-[(2S)-1-(9-tert-butyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]-2-hydroxyiminoacetamide
CID 138653130
2-(hydroxyamino)-N-[(2S)-1-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide
CID 138652155
2-(hydroxyamino)-N-[(2S)-1-(6-iodo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide
CID 138652186
4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 112702718
2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-ol
CID 115873061
N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115590525

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(7,8-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-(7,8-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide (CID 138652303) is N-[(2S)-1-(7,8-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-(7,8-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-(7,8-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide is CC(=O)N[C@@H](C)CN1CCCc2cc(C)c(C)cc2C1.
What is the InChIKey of N-[(2S)-1-(7,8-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide?
The InChIKey is FVMAEQWFEFJOTE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-8-16-6-5-7-19(10-14(3)18-15(4)20)11-17(16)9-13(12)2/h8-9,14H,5-7,10-11H2,1-4H3,(H,18,20)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-(7,8-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide?
N-[(2S)-1-(7,8-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide has a molecular weight of 274.41 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 N-[(2S)-1-(7,8-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide is sourced from PubChem (CID 138652303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).