2-[(4-aminoperoxy-2-hydroxyphenyl)hydrazinylidene]-3-imino-N-phenylbutanamide

C16H17N5O4 — CID 135972063

IUPAC2-[(4-aminoperoxy-2-hydroxyphenyl)hydrazinylidene]-3-imino-N-phenylbutanamide
SMILES[H]/N=C(\C)C(=NNc1ccc(OON)cc1O)C(=O)Nc1ccccc1
InChIInChI=1S/C16H17N5O4/c1-10(17)15(16(23)19-11-5-3-2-4-6-11)21-20-13-8-7-12(24-25-18)9-14(13)22/h2-9,17,20,22H,18H2,1H3,(H,19,23)/b17-10+,21-15?
InChIKeyUKTWICUBDIWEEA-JKLRCYIWSA-N
MW343.34 g/mol
LogP2.02
Rot. Bonds7

About 2-[(4-aminoperoxy-2-hydroxyphenyl)hydrazinylidene]-3-imino-N-phenylbutanamide

2-[(4-aminoperoxy-2-hydroxyphenyl)hydrazinylidene]-3-imino-N-phenylbutanamide (PubChem CID 135972063) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-[(4-aminoperoxy-2-hydroxyphenyl)hydrazinylidene]-3-imino-N-phenylbutanamide.

Molecular Properties

Compound Name2-[(4-aminoperoxy-2-hydroxyphenyl)hydrazinylidene]-3-imino-N-phenylbutanamide
PubChem CID135972063
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC Name2-[(4-aminoperoxy-2-hydroxyphenyl)hydrazinylidene]-3-imino-N-phenylbutanamide
SMILES[H]/N=C(\C)C(=NNc1ccc(OON)cc1O)C(=O)Nc1ccccc1
InChIInChI=1S/C16H17N5O4/c1-10(17)15(16(23)19-11-5-3-2-4-6-11)21-20-13-8-7-12(24-25-18)9-14(13)22/h2-9,17,20,22H,18H2,1H3,(H,19,23)/b17-10+,21-15?
InChIKeyUKTWICUBDIWEEA-JKLRCYIWSA-N
XLogP2.02
TPSA142.05 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

5-[3-[(2Z)-2-[1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylamino)-3-imino-1-oxobutan-2-ylidene]hydrazinyl]-2-hydroxyphenyl]furan-2-carboxylic acid
CID 143836246
lithium;cobalt;bis((2E)-2-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-3-oxo-N-phenylbutanamide)
CID 91809160
(2Z)-3-amino-2-[(2,3-dichlorophenyl)hydrazinylidene]-N-phenyl-3-sulfanylidenepropanamide
CID 6223201
(2Z)-2-[[4-[4-[(2Z)-2-(1-anilino-1,3-dioxobutan-2-ylidene)hydrazinyl]-3-chlorophenyl]-2-chlorophenyl]hydrazinylidene]-3-oxo-N-phenylbutanamide;methanesulfonate
CID 172937867
(2Z)-2-[(4-hydroxyphenyl)hydrazinylidene]-3-oxo-N-phenylbutanethioamide
CID 156630908
(2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 136662570
acetaldehyde;(2Z)-2-[[2-hydroxy-3-[(E)-1-methylsulfanylbut-1-en-3-yn-2-yl]phenyl]hydrazinylidene]-3-imino-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;methanol
CID 143836171
5-[3-[(2Z)-2-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-imino-1-oxobutan-2-ylidene]hydrazinyl]-2-hydroxy-5-methylphenyl]furan-2-carboxylic acid
CID 136931651
tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate
CID 58020516
(Z)-3-hydroxy-2-methanimidoyl-N-phenylbut-2-enamide
CID 137099058
(2Z,3E)-2-hydroxyimino-3-oxidoimino-N-phenylbutanamide
CID 135764917
(3Z)-4-(4-hydroxyphenyl)-2-imino-N-phenyl-3-(phenylhydrazinylidene)pentanamide
CID 142189425

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminoperoxy-2-hydroxyphenyl)hydrazinylidene]-3-imino-N-phenylbutanamide?
The IUPAC name of 2-[(4-aminoperoxy-2-hydroxyphenyl)hydrazinylidene]-3-imino-N-phenylbutanamide (CID 135972063) is 2-[(4-aminoperoxy-2-hydroxyphenyl)hydrazinylidene]-3-imino-N-phenylbutanamide.
What is the SMILES notation for 2-[(4-aminoperoxy-2-hydroxyphenyl)hydrazinylidene]-3-imino-N-phenylbutanamide?
The canonical SMILES for 2-[(4-aminoperoxy-2-hydroxyphenyl)hydrazinylidene]-3-imino-N-phenylbutanamide is [H]/N=C(\C)C(=NNc1ccc(OON)cc1O)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[(4-aminoperoxy-2-hydroxyphenyl)hydrazinylidene]-3-imino-N-phenylbutanamide?
The InChIKey is UKTWICUBDIWEEA-JKLRCYIWSA-N. The full InChI is InChI=1S/C16H17N5O4/c1-10(17)15(16(23)19-11-5-3-2-4-6-11)21-20-13-8-7-12(24-25-18)9-14(13)22/h2-9,17,20,22H,18H2,1H3,(H,19,23)/b17-10+,21-15?.
What are the key properties of 2-[(4-aminoperoxy-2-hydroxyphenyl)hydrazinylidene]-3-imino-N-phenylbutanamide?
2-[(4-aminoperoxy-2-hydroxyphenyl)hydrazinylidene]-3-imino-N-phenylbutanamide has a molecular weight of 343.34 g/mol, XLogP of 2.02, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminoperoxy-2-hydroxyphenyl)hydrazinylidene]-3-imino-N-phenylbutanamide is sourced from PubChem (CID 135972063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).