6-(butanoylamino)-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C15H20N2O3 — CID 58055291

IUPAC6-(butanoylamino)-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCCCC(=O)Nc1ccc2c(c1)CCC(C(=O)NO)C2
InChIInChI=1S/C15H20N2O3/c1-2-3-14(18)16-13-7-6-10-8-12(15(19)17-20)5-4-11(10)9-13/h6-7,9,12,20H,2-5,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyDEWUHDGTUZCTQD-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.04
Rot. Bonds4

About 6-(butanoylamino)-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide

6-(butanoylamino)-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 58055291) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-(butanoylamino)-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-(butanoylamino)-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID58055291
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-(butanoylamino)-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCCCC(=O)Nc1ccc2c(c1)CCC(C(=O)NO)C2
InChIInChI=1S/C15H20N2O3/c1-2-3-14(18)16-13-7-6-10-8-12(15(19)17-20)5-4-11(10)9-13/h6-7,9,12,20H,2-5,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyDEWUHDGTUZCTQD-UHFFFAOYSA-N
XLogP2.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide
CID 47309445
N-(2,3-dihydro-1H-indol-5-yl)butanamide
CID 63253204
methyl N-[4-[[7-(hydroxycarbamoyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phenyl]carbamate
CID 123209447
cyclopropylmethyl-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-propylazanium
CID 2168300
7-[3-(cyclopropanecarbonylamino)phenyl]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 56601360
N-(3-amino-4-bromophenyl)butanamide
CID 79768270
methyl 2-[[(3R)-6-(butanoylamino)-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetate
CID 95091078
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
7-N-[3-(butylamino)propyl]-2-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2,7-dicarboxamide
CID 88582541
N-hydroxy-7-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 58055219

Frequently Asked Questions

What is the IUPAC name of 6-(butanoylamino)-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 6-(butanoylamino)-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 58055291) is 6-(butanoylamino)-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 6-(butanoylamino)-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 6-(butanoylamino)-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CCCC(=O)Nc1ccc2c(c1)CCC(C(=O)NO)C2.
What is the InChIKey of 6-(butanoylamino)-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is DEWUHDGTUZCTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-3-14(18)16-13-7-6-10-8-12(15(19)17-20)5-4-11(10)9-13/h6-7,9,12,20H,2-5,8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 6-(butanoylamino)-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
6-(butanoylamino)-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butanoylamino)-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 58055291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).