(2R)-1-(3,5-dimethoxy-4-methylbenzoyl)-N-hydroxyazetidine-2-carboxamide

C14H18N2O5 — CID 10040078

IUPAC(2R)-1-(3,5-dimethoxy-4-methylbenzoyl)-N-hydroxyazetidine-2-carboxamide
SMILESCOc1cc(C(=O)N2CC[C@@H]2C(=O)NO)cc(OC)c1C
InChIInChI=1S/C14H18N2O5/c1-8-11(20-2)6-9(7-12(8)21-3)14(18)16-5-4-10(16)13(17)15-19/h6-7,10,19H,4-5H2,1-3H3,(H,15,17)/t10-/m1/s1
InChIKeyZYVUVPOKXHNABR-SNVBAGLBSA-N
MW294.31 g/mol
LogP0.73
Rot. Bonds4

About (2R)-1-(3,5-dimethoxy-4-methylbenzoyl)-N-hydroxyazetidine-2-carboxamide

(2R)-1-(3,5-dimethoxy-4-methylbenzoyl)-N-hydroxyazetidine-2-carboxamide (PubChem CID 10040078) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2R)-1-(3,5-dimethoxy-4-methylbenzoyl)-N-hydroxyazetidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(3,5-dimethoxy-4-methylbenzoyl)-N-hydroxyazetidine-2-carboxamide
PubChem CID10040078
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name(2R)-1-(3,5-dimethoxy-4-methylbenzoyl)-N-hydroxyazetidine-2-carboxamide
SMILESCOc1cc(C(=O)N2CC[C@@H]2C(=O)NO)cc(OC)c1C
InChIInChI=1S/C14H18N2O5/c1-8-11(20-2)6-9(7-12(8)21-3)14(18)16-5-4-10(16)13(17)15-19/h6-7,10,19H,4-5H2,1-3H3,(H,15,17)/t10-/m1/s1
InChIKeyZYVUVPOKXHNABR-SNVBAGLBSA-N
XLogP0.73
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-hydroxy-1-[4-methoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide
CID 85079953
(2R)-1-(4-ethenoxy-3-methoxy-5-prop-2-enylbenzoyl)-N-hydroxyazetidine-2-carboxamide
CID 10471941
1-(3,5-dimethoxy-4-methylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55669558
1-[3,4-dimethoxy-5-(3-phenylmethoxypropyl)benzoyl]-N-hydroxyazetidine-2-carboxamide
CID 85081611
methyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate
CID 68682554
(2R)-1-(3-bromo-4,5-dimethoxybenzoyl)azetidine-2-carboxylic acid
CID 69378911
(3,5-dimethoxy-4-methylphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411271
1-[4-ethyl-3-(trifluoromethoxy)benzoyl]-N-hydroxyazetidine-2-carboxamide
CID 85087240
(2R)-N-hydroxy-1-[4-methylsulfanyl-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide
CID 10066445
(2R)-1-(3-iodo-4,5-dimethoxybenzoyl)azetidine-2-carboxylic acid
CID 90823192
(3,5-dimethoxy-4-methylphenyl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
CID 129481027
(2R)-N-hydroxy-1-(3-methylsulfanylbenzoyl)azetidine-2-carboxamide
CID 10355565

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,5-dimethoxy-4-methylbenzoyl)-N-hydroxyazetidine-2-carboxamide?
The IUPAC name of (2R)-1-(3,5-dimethoxy-4-methylbenzoyl)-N-hydroxyazetidine-2-carboxamide (CID 10040078) is (2R)-1-(3,5-dimethoxy-4-methylbenzoyl)-N-hydroxyazetidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(3,5-dimethoxy-4-methylbenzoyl)-N-hydroxyazetidine-2-carboxamide?
The canonical SMILES for (2R)-1-(3,5-dimethoxy-4-methylbenzoyl)-N-hydroxyazetidine-2-carboxamide is COc1cc(C(=O)N2CC[C@@H]2C(=O)NO)cc(OC)c1C.
What is the InChIKey of (2R)-1-(3,5-dimethoxy-4-methylbenzoyl)-N-hydroxyazetidine-2-carboxamide?
The InChIKey is ZYVUVPOKXHNABR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-8-11(20-2)6-9(7-12(8)21-3)14(18)16-5-4-10(16)13(17)15-19/h6-7,10,19H,4-5H2,1-3H3,(H,15,17)/t10-/m1/s1.
What are the key properties of (2R)-1-(3,5-dimethoxy-4-methylbenzoyl)-N-hydroxyazetidine-2-carboxamide?
(2R)-1-(3,5-dimethoxy-4-methylbenzoyl)-N-hydroxyazetidine-2-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,5-dimethoxy-4-methylbenzoyl)-N-hydroxyazetidine-2-carboxamide is sourced from PubChem (CID 10040078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).