N-butan-2-yl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide

C16H23N3O2 — CID 114337162

IUPACN-butan-2-yl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCC/C(=N/O)c2ccccc21
InChIInChI=1S/C16H23N3O2/c1-3-12(2)17-16(20)11-19-10-6-8-14(18-21)13-7-4-5-9-15(13)19/h4-5,7,9,12,21H,3,6,8,10-11H2,1-2H3,(H,17,20)/b18-14-
InChIKeyFXQZEBOFMUTBKG-JXAWBTAJSA-N
MW289.38 g/mol
LogP2.38
Rot. Bonds4

About N-butan-2-yl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide

N-butan-2-yl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide (PubChem CID 114337162) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-butan-2-yl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide
PubChem CID114337162
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-butan-2-yl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCC/C(=N/O)c2ccccc21
InChIInChI=1S/C16H23N3O2/c1-3-12(2)17-16(20)11-19-10-6-8-14(18-21)13-7-4-5-9-15(13)19/h4-5,7,9,12,21H,3,6,8,10-11H2,1-2H3,(H,17,20)/b18-14-
InChIKeyFXQZEBOFMUTBKG-JXAWBTAJSA-N
XLogP2.38
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.38
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

N-tert-butyl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide
CID 114337164
2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 77033454
N-(cyanomethyl)-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide
CID 114337260
3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-N-propan-2-ylpropanamide
CID 114337171
N-ethyl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-N-methylacetamide
CID 114337176
(NZ)-N-[1-(2-ethylhexyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337326
2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]butanamide
CID 114337268
N-cyclopropyl-3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]propanamide
CID 114337184
(NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337205
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butan-2-ylacetamide
CID 61357996
(5Z)-5-hydroxyimino-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114809011
(NZ)-N-[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337325

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide (CID 114337162) is N-butan-2-yl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide is CCC(C)NC(=O)CN1CCC/C(=N/O)c2ccccc21.
What is the InChIKey of N-butan-2-yl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide?
The InChIKey is FXQZEBOFMUTBKG-JXAWBTAJSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-12(2)17-16(20)11-19-10-6-8-14(18-21)13-7-4-5-9-15(13)19/h4-5,7,9,12,21H,3,6,8,10-11H2,1-2H3,(H,17,20)/b18-14-.
What are the key properties of N-butan-2-yl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide?
N-butan-2-yl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide is sourced from PubChem (CID 114337162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).