2-(hydroxyamino)-N-[(2S)-1-(1,3,4,5,7,8,9,10-octahydrobenzo[h][2]benzazepin-2-yl)propan-2-yl]acetamide

C19H29N3O2 — CID 138652283

IUPAC2-(hydroxyamino)-N-[(2S)-1-(1,3,4,5,7,8,9,10-octahydrobenzo[h][2]benzazepin-2-yl)propan-2-yl]acetamide
SMILESC[C@@H](CN1CCCc2cc3c(cc2C1)CCCC3)NC(=O)CNO
InChIInChI=1S/C19H29N3O2/c1-14(21-19(23)11-20-24)12-22-8-4-7-17-9-15-5-2-3-6-16(15)10-18(17)13-22/h9-10,14,20,24H,2-8,11-13H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyMFVBULIJLQNCIK-AWEZNQCLSA-N
MW331.46 g/mol
LogP1.80
Rot. Bonds5

About 2-(hydroxyamino)-N-[(2S)-1-(1,3,4,5,7,8,9,10-octahydrobenzo[h][2]benzazepin-2-yl)propan-2-yl]acetamide

2-(hydroxyamino)-N-[(2S)-1-(1,3,4,5,7,8,9,10-octahydrobenzo[h][2]benzazepin-2-yl)propan-2-yl]acetamide (PubChem CID 138652283) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(hydroxyamino)-N-[(2S)-1-(1,3,4,5,7,8,9,10-octahydrobenzo[h][2]benzazepin-2-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(hydroxyamino)-N-[(2S)-1-(1,3,4,5,7,8,9,10-octahydrobenzo[h][2]benzazepin-2-yl)propan-2-yl]acetamide
PubChem CID138652283
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-(hydroxyamino)-N-[(2S)-1-(1,3,4,5,7,8,9,10-octahydrobenzo[h][2]benzazepin-2-yl)propan-2-yl]acetamide
SMILESC[C@@H](CN1CCCc2cc3c(cc2C1)CCCC3)NC(=O)CNO
InChIInChI=1S/C19H29N3O2/c1-14(21-19(23)11-20-24)12-22-8-4-7-17-9-15-5-2-3-6-16(15)10-18(17)13-22/h9-10,14,20,24H,2-8,11-13H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyMFVBULIJLQNCIK-AWEZNQCLSA-N
XLogP1.80
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(hydroxyamino)-N-[(2S)-1-(1,3,4,5,7,8,9,10-octahydrobenzo[h][2]benzazepin-2-yl)propan-2-yl]acetamide with MolForge

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Related Compounds

N-[(2S)-1-(8-tert-butyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]-2-(hydroxyamino)acetamide
CID 138651678
2-(hydroxyamino)-N-[(2S)-1-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide
CID 138652155
N-[(2S)-1-(7,8-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide
CID 138652303
2-(hydroxyamino)-N-[(2S)-1-(6-iodo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide
CID 138652186
2-(hydroxyamino)-N-[(2S)-1-(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide
CID 138652280
N-[(2S)-1-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide
CID 138651704
(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
tert-butyl N-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]carbamate
CID 174380521
2-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
CID 43695360
2-(hydroxyamino)-N'-[(2S)-1-(9-methyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]ethanimidamide
CID 138651702
N-(1-piperidin-1-ylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958032

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)-N-[(2S)-1-(1,3,4,5,7,8,9,10-octahydrobenzo[h][2]benzazepin-2-yl)propan-2-yl]acetamide?
The IUPAC name of 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) is 2-(hydroxyamino)-N-[(2S)-1-(1,3,4,5,7,8,9,10-octahydrobenzo[h][2]benzazepin-2-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(hydroxyamino)-N-[(2S)-1-(1,3,4,5,7,8,9,10-octahydrobenzo[h][2]benzazepin-2-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(hydroxyamino)-N-[(2S)-1-(1,3,4,5,7,8,9,10-octahydrobenzo[h][2]benzazepin-2-yl)propan-2-yl]acetamide is C[C@@H](CN1CCCc2cc3c(cc2C1)CCCC3)NC(=O)CNO.
What is the InChIKey of 2-(hydroxyamino)-N-[(2S)-1-(1,3,4,5,7,8,9,10-octahydrobenzo[h][2]benzazepin-2-yl)propan-2-yl]acetamide?
The InChIKey is MFVBULIJLQNCIK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(21-19(23)11-20-24)12-22-8-4-7-17-9-15-5-2-3-6-16(15)10-18(17)13-22/h9-10,14,20,24H,2-8,11-13H2,1H3,(H,21,23)/t14-/m0/s1.
What are the key properties of 2-(hydroxyamino)-N-[(2S)-1-(1,3,4,5,7,8,9,10-octahydrobenzo[h][2]benzazepin-2-yl)propan-2-yl]acetamide?
2-(hydroxyamino)-N-[(2S)-1-(1,3,4,5,7,8,9,10-octahydrobenzo[h][2]benzazepin-2-yl)propan-2-yl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)-N-[(2S)-1-(1,3,4,5,7,8,9,10-octahydrobenzo[h][2]benzazepin-2-yl)propan-2-yl]acetamide is sourced from PubChem (CID 138652283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).