(7S)-7-(2,2-dimethylpropanoylamino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C16H22N2O3 — CID 86731183

IUPAC(7S)-7-(2,2-dimethylpropanoylamino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC(C)(C)C(=O)N[C@H]1CCc2ccc(C(=O)NO)cc2C1
InChIInChI=1S/C16H22N2O3/c1-16(2,3)15(20)17-13-7-6-10-4-5-11(14(19)18-21)8-12(10)9-13/h4-5,8,13,21H,6-7,9H2,1-3H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyNADPZHAXQMQBCU-ZDUSSCGKSA-N
MW290.36 g/mol
LogP1.83
Rot. Bonds2

About (7S)-7-(2,2-dimethylpropanoylamino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide

(7S)-7-(2,2-dimethylpropanoylamino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 86731183) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (7S)-7-(2,2-dimethylpropanoylamino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name(7S)-7-(2,2-dimethylpropanoylamino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID86731183
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(7S)-7-(2,2-dimethylpropanoylamino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC(C)(C)C(=O)N[C@H]1CCc2ccc(C(=O)NO)cc2C1
InChIInChI=1S/C16H22N2O3/c1-16(2,3)15(20)17-13-7-6-10-4-5-11(14(19)18-21)8-12(10)9-13/h4-5,8,13,21H,6-7,9H2,1-3H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyNADPZHAXQMQBCU-ZDUSSCGKSA-N
XLogP1.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.83
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

6-(2,2-dimethylpropanoylamino)-N-hydroxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide
CID 58055583
oxan-2-yl (7S)-7-(2,2-dimethylpropanoylamino)-5,6,7,8-tetrahydronaphthalene-2-carboperoxoate
CID 90368246
7-(4-bromoanilino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 56932604
(4-chlorophenyl) N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 56602367
N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 58055390
N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2-carboxamide
CID 88580832
ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 19386082
N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 58055582
N-[(2R)-7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
CID 101229888
N-hydroxy-7-pyridin-4-yloxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 58055501
tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 22182075
3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103956267

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(2,2-dimethylpropanoylamino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of (7S)-7-(2,2-dimethylpropanoylamino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 86731183) is (7S)-7-(2,2-dimethylpropanoylamino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for (7S)-7-(2,2-dimethylpropanoylamino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for (7S)-7-(2,2-dimethylpropanoylamino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CC(C)(C)C(=O)N[C@H]1CCc2ccc(C(=O)NO)cc2C1.
What is the InChIKey of (7S)-7-(2,2-dimethylpropanoylamino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is NADPZHAXQMQBCU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,3)15(20)17-13-7-6-10-4-5-11(14(19)18-21)8-12(10)9-13/h4-5,8,13,21H,6-7,9H2,1-3H3,(H,17,20)(H,18,19)/t13-/m0/s1.
What are the key properties of (7S)-7-(2,2-dimethylpropanoylamino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
(7S)-7-(2,2-dimethylpropanoylamino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(2,2-dimethylpropanoylamino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 86731183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).