2-hydroxy-N-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]benzamide

C21H23N3O3 — CID 3105634

IUPAC2-hydroxy-N-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]benzamide
SMILESCC(CC(=O)Nc1cccc2c1CCCC2)=NNC(=O)c1ccccc1O
InChIInChI=1S/C21H23N3O3/c1-14(23-24-21(27)17-10-4-5-12-19(17)25)13-20(26)22-18-11-6-8-15-7-2-3-9-16(15)18/h4-6,8,10-12,25H,2-3,7,9,13H2,1H3,(H,22,26)(H,24,27)
InChIKeyDKBRQNKCPZDHIQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.41
Rot. Bonds5

About 2-hydroxy-N-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]benzamide

2-hydroxy-N-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]benzamide (PubChem CID 3105634) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-hydroxy-N-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]benzamide
PubChem CID3105634
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-hydroxy-N-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]benzamide
SMILESCC(CC(=O)Nc1cccc2c1CCCC2)=NNC(=O)c1ccccc1O
InChIInChI=1S/C21H23N3O3/c1-14(23-24-21(27)17-10-4-5-12-19(17)25)13-20(26)22-18-11-6-8-15-7-2-3-9-16(15)18/h4-6,8,10-12,25H,2-3,7,9,13H2,1H3,(H,22,26)(H,24,27)
InChIKeyDKBRQNKCPZDHIQ-UHFFFAOYSA-N
XLogP3.41
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylphenyl)-N'-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]oxamide
CID 3105655
N-cyclohexyl-N'-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]oxamide
CID 2862074
N-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide
CID 4287242
3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 82782191
2-hydroxy-N-[(Z)-[4-(3-iodoanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 5371078
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
2-(4-hydroxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 78838548
2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 17386781
N-[[4-(3-chloro-2-methylanilino)-4-oxobutan-2-ylidene]amino]-2-iodobenzamide
CID 3403984
S-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl] ethanethioate
CID 88670492

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]benzamide?
The IUPAC name of 2-hydroxy-N-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]benzamide (CID 3105634) is 2-hydroxy-N-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]benzamide?
The canonical SMILES for 2-hydroxy-N-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]benzamide is CC(CC(=O)Nc1cccc2c1CCCC2)=NNC(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]benzamide?
The InChIKey is DKBRQNKCPZDHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14(23-24-21(27)17-10-4-5-12-19(17)25)13-20(26)22-18-11-6-8-15-7-2-3-9-16(15)18/h4-6,8,10-12,25H,2-3,7,9,13H2,1H3,(H,22,26)(H,24,27).
What are the key properties of 2-hydroxy-N-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]benzamide?
2-hydroxy-N-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]benzamide has a molecular weight of 365.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]benzamide is sourced from PubChem (CID 3105634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).