(2Z)-2-hydroxyimino-N-[(2S)-1-(10-propyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]acetamide

C19H29N3O2 — CID 138653148

IUPAC(2Z)-2-hydroxyimino-N-[(2S)-1-(10-propyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]acetamide
SMILESCCCc1cccc2c1CN(C[C@H](C)NC(=O)/C=N\O)CCCC2
InChIInChI=1S/C19H29N3O2/c1-3-7-16-9-6-10-17-8-4-5-11-22(14-18(16)17)13-15(2)21-19(23)12-20-24/h6,9-10,12,15,24H,3-5,7-8,11,13-14H2,1-2H3,(H,21,23)/b20-12-/t15-/m0/s1
InChIKeyOFQMVPXRAACJQP-DKNZLLBESA-N
MW331.46 g/mol
LogP2.74
Rot. Bonds6

About (2Z)-2-hydroxyimino-N-[(2S)-1-(10-propyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]acetamide

(2Z)-2-hydroxyimino-N-[(2S)-1-(10-propyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]acetamide (PubChem CID 138653148) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-N-[(2S)-1-(10-propyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-N-[(2S)-1-(10-propyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]acetamide
PubChem CID138653148
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(2Z)-2-hydroxyimino-N-[(2S)-1-(10-propyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]acetamide
SMILESCCCc1cccc2c1CN(C[C@H](C)NC(=O)/C=N\O)CCCC2
InChIInChI=1S/C19H29N3O2/c1-3-7-16-9-6-10-17-8-4-5-11-22(14-18(16)17)13-15(2)21-19(23)12-20-24/h6,9-10,12,15,24H,3-5,7-8,11,13-14H2,1-2H3,(H,21,23)/b20-12-/t15-/m0/s1
InChIKeyOFQMVPXRAACJQP-DKNZLLBESA-N
XLogP2.74
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N-[(2S)-1-(10-ethoxy-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]-2-hydroxyiminoacetamide
CID 138652287
(2Z)-2-hydroxyimino-N-[(2S)-1-(9-methylsulfanyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide
CID 138652181
(2Z)-2-hydroxyimino-N-[(2S)-1-[5-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]acetamide
CID 138652195
(2Z)-N-[(2S)-1-(9-tert-butyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]-2-hydroxyiminoacetamide
CID 138653130
(2Z)-N-[(2S)-1-(8-tert-butyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]-2-hydroxyiminoacetamide
CID 138652270
(2E)-N-[(2S)-1-(azepan-1-yl)propan-2-yl]-2-hydroxyiminoacetamide
CID 138652142
ethyl (2E)-2-hydroxyiminoacetate;(2E)-2-hydroxyimino-N-[(2S)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide;2-methylpropanal;2-(2-methylpropyl)-1,3,4,5-tetrahydro-2-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;(2S)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine
CID 172922490
tert-butyl N-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]carbamate
CID 174380521
2-(hydroxyamino)-N-[(2S)-1-(6-iodo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]acetamide
CID 138652186
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide;formic acid
CID 154913371
N-(1-pyrrolidin-1-ylpropan-2-yl)prop-2-enamide
CID 61473845
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

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxyimino-N-[(2S)-1-(10-propyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]acetamide?
The IUPAC name of (2Z)-2-hydroxyimino-N-[(2S)-1-(10-propyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]acetamide (CID 138653148) is (2Z)-2-hydroxyimino-N-[(2S)-1-(10-propyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]acetamide.
What is the SMILES notation for (2Z)-2-hydroxyimino-N-[(2S)-1-(10-propyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]acetamide?
The canonical SMILES for (2Z)-2-hydroxyimino-N-[(2S)-1-(10-propyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]acetamide is CCCc1cccc2c1CN(C[C@H](C)NC(=O)/C=N\O)CCCC2.
What is the InChIKey of (2Z)-2-hydroxyimino-N-[(2S)-1-(10-propyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]acetamide?
The InChIKey is OFQMVPXRAACJQP-DKNZLLBESA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-7-16-9-6-10-17-8-4-5-11-22(14-18(16)17)13-15(2)21-19(23)12-20-24/h6,9-10,12,15,24H,3-5,7-8,11,13-14H2,1-2H3,(H,21,23)/b20-12-/t15-/m0/s1.
What are the key properties of (2Z)-2-hydroxyimino-N-[(2S)-1-(10-propyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]acetamide?
(2Z)-2-hydroxyimino-N-[(2S)-1-(10-propyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-N-[(2S)-1-(10-propyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]acetamide is sourced from PubChem (CID 138653148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).