N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C21H23N3O3 — CID 58055390

IUPACN-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CC(NC(=O)C1Cc3ccccc3CN1)CC2
InChIInChI=1S/C21H23N3O3/c25-20(24-27)15-6-5-13-7-8-18(10-17(13)9-15)23-21(26)19-11-14-3-1-2-4-16(14)12-22-19/h1-6,9,18-19,22,27H,7-8,10-12H2,(H,23,26)(H,24,25)
InChIKeyYAPHUWNYLPLAIC-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.49
Rot. Bonds3

About N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 58055390) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID58055390
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CC(NC(=O)C1Cc3ccccc3CN1)CC2
InChIInChI=1S/C21H23N3O3/c25-20(24-27)15-6-5-13-7-8-18(10-17(13)9-15)23-21(26)19-11-14-3-1-2-4-16(14)12-22-19/h1-6,9,18-19,22,27H,7-8,10-12H2,(H,23,26)(H,24,25)
InChIKeyYAPHUWNYLPLAIC-UHFFFAOYSA-N
XLogP1.49
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

(7S)-7-(2,2-dimethylpropanoylamino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 86731183
N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2-carboxamide
CID 88580832
(3S)-N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896600
(2R)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119688067
N-(3-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119285436
3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103956267
N-(1,1-dioxothiolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24698231
7-(4-bromoanilino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 56932604
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119270483
(3S)-N-(1-acetylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 97311671
(4-chlorophenyl) N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 56602367
3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 62304579

Frequently Asked Questions

What is the IUPAC name of N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 58055390) is N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(NO)c1ccc2c(c1)CC(NC(=O)C1Cc3ccccc3CN1)CC2.
What is the InChIKey of N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is YAPHUWNYLPLAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-20(24-27)15-6-5-13-7-8-18(10-17(13)9-15)23-21(26)19-11-14-3-1-2-4-16(14)12-22-19/h1-6,9,18-19,22,27H,7-8,10-12H2,(H,23,26)(H,24,25).
What are the key properties of N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 1.49, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 58055390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).