N-hydroxy-2-[2-(4-methylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide

C20H22N2O3 — CID 58147133

IUPACN-hydroxy-2-[2-(4-methylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
SMILESCc1ccc(C(C)C(=O)N2CCc3cc(C(=O)NO)ccc3C2)cc1
InChIInChI=1S/C20H22N2O3/c1-13-3-5-15(6-4-13)14(2)20(24)22-10-9-16-11-17(19(23)21-25)7-8-18(16)12-22/h3-8,11,14,25H,9-10,12H2,1-2H3,(H,21,23)
InChIKeySILRLTDLSZXOHR-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.80
Rot. Bonds3

About N-hydroxy-2-[2-(4-methylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide

N-hydroxy-2-[2-(4-methylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide (PubChem CID 58147133) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-hydroxy-2-[2-(4-methylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-(4-methylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
PubChem CID58147133
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-hydroxy-2-[2-(4-methylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
SMILESCc1ccc(C(C)C(=O)N2CCc3cc(C(=O)NO)ccc3C2)cc1
InChIInChI=1S/C20H22N2O3/c1-13-3-5-15(6-4-13)14(2)20(24)22-10-9-16-11-17(19(23)21-25)7-8-18(16)12-22/h3-8,11,14,25H,9-10,12H2,1-2H3,(H,21,23)
InChIKeySILRLTDLSZXOHR-UHFFFAOYSA-N
XLogP2.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
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

2-(1-acetylpiperidine-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 58147293
2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120666503
N-hydroxy-2-[3-(4-methylphenyl)-2-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 72680168
N-hydroxy-2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 58147372
N-hydroxy-4-(2-pyridin-3-ylpropanoyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440413
(2S)-2-amino-1-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 129229113
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylphenyl)methanone
CID 110726069
(2R)-2-(4-methylphenyl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92556623
2-[(2R)-2-phenylpropanoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 138036523
N-hydroxy-1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122634909
2-(4-methylbenzoyl)-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110644519
2-(hydroxyamino)-N-[(2S)-1-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide
CID 138652155

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-(4-methylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The IUPAC name of N-hydroxy-2-[2-(4-methylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide (CID 58147133) is N-hydroxy-2-[2-(4-methylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide.
What is the SMILES notation for N-hydroxy-2-[2-(4-methylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The canonical SMILES for N-hydroxy-2-[2-(4-methylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide is Cc1ccc(C(C)C(=O)N2CCc3cc(C(=O)NO)ccc3C2)cc1.
What is the InChIKey of N-hydroxy-2-[2-(4-methylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The InChIKey is SILRLTDLSZXOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-3-5-15(6-4-13)14(2)20(24)22-10-9-16-11-17(19(23)21-25)7-8-18(16)12-22/h3-8,11,14,25H,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of N-hydroxy-2-[2-(4-methylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide?
N-hydroxy-2-[2-(4-methylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-(4-methylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide is sourced from PubChem (CID 58147133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).