(2R)-1-(4-ethenoxy-3-methoxy-5-prop-2-enylbenzoyl)-N-hydroxyazetidine-2-carboxamide

C17H20N2O5 — CID 10471941

IUPAC(2R)-1-(4-ethenoxy-3-methoxy-5-prop-2-enylbenzoyl)-N-hydroxyazetidine-2-carboxamide
SMILESC=CCc1cc(C(=O)N2CC[C@@H]2C(=O)NO)cc(OC)c1OC=C
InChIInChI=1S/C17H20N2O5/c1-4-6-11-9-12(10-14(23-3)15(11)24-5-2)17(21)19-8-7-13(19)16(20)18-22/h4-5,9-10,13,22H,1-2,6-8H2,3H3,(H,18,20)/t13-/m1/s1
InChIKeyVYOBEFWKYQYLKX-CYBMUJFWSA-N
MW332.36 g/mol
LogP1.67
Rot. Bonds7

About (2R)-1-(4-ethenoxy-3-methoxy-5-prop-2-enylbenzoyl)-N-hydroxyazetidine-2-carboxamide

(2R)-1-(4-ethenoxy-3-methoxy-5-prop-2-enylbenzoyl)-N-hydroxyazetidine-2-carboxamide (PubChem CID 10471941) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is (2R)-1-(4-ethenoxy-3-methoxy-5-prop-2-enylbenzoyl)-N-hydroxyazetidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-ethenoxy-3-methoxy-5-prop-2-enylbenzoyl)-N-hydroxyazetidine-2-carboxamide
PubChem CID10471941
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name(2R)-1-(4-ethenoxy-3-methoxy-5-prop-2-enylbenzoyl)-N-hydroxyazetidine-2-carboxamide
SMILESC=CCc1cc(C(=O)N2CC[C@@H]2C(=O)NO)cc(OC)c1OC=C
InChIInChI=1S/C17H20N2O5/c1-4-6-11-9-12(10-14(23-3)15(11)24-5-2)17(21)19-8-7-13(19)16(20)18-22/h4-5,9-10,13,22H,1-2,6-8H2,3H3,(H,18,20)/t13-/m1/s1
InChIKeyVYOBEFWKYQYLKX-CYBMUJFWSA-N
XLogP1.67
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-1-(3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoyl)azetidine-2-carboxylate
CID 68684071
(2R)-1-(3,5-dimethoxy-4-methylbenzoyl)-N-hydroxyazetidine-2-carboxamide
CID 10040078
1-[3,4-dimethoxy-5-(3-phenylmethoxypropyl)benzoyl]-N-hydroxyazetidine-2-carboxamide
CID 85081611
(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119562615
(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562614
(2R)-1-[3,4-dimethoxy-5-(3-prop-2-enoxypropyl)benzoyl]azetidine-2-carboxylic acid
CID 90842093
(3,4-dimethoxy-5-prop-2-enylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572626
N-hydroxy-1-[4-methoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide
CID 85079953
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dimethoxy-5-prop-2-enylphenyl)methanone
CID 119624177
[3-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxy-5-prop-2-enylphenyl)methanone;hydrochloride
CID 119485915
methyl (2R)-1-[3-[2-(dimethylamino)-2-oxoethyl]-4,5-dimethoxybenzoyl]azetidine-2-carboxylate
CID 68687693
N-hydroxy-1-[4-prop-2-enoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide
CID 85146678

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-ethenoxy-3-methoxy-5-prop-2-enylbenzoyl)-N-hydroxyazetidine-2-carboxamide?
The IUPAC name of (2R)-1-(4-ethenoxy-3-methoxy-5-prop-2-enylbenzoyl)-N-hydroxyazetidine-2-carboxamide (CID 10471941) is (2R)-1-(4-ethenoxy-3-methoxy-5-prop-2-enylbenzoyl)-N-hydroxyazetidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-ethenoxy-3-methoxy-5-prop-2-enylbenzoyl)-N-hydroxyazetidine-2-carboxamide?
The canonical SMILES for (2R)-1-(4-ethenoxy-3-methoxy-5-prop-2-enylbenzoyl)-N-hydroxyazetidine-2-carboxamide is C=CCc1cc(C(=O)N2CC[C@@H]2C(=O)NO)cc(OC)c1OC=C.
What is the InChIKey of (2R)-1-(4-ethenoxy-3-methoxy-5-prop-2-enylbenzoyl)-N-hydroxyazetidine-2-carboxamide?
The InChIKey is VYOBEFWKYQYLKX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-4-6-11-9-12(10-14(23-3)15(11)24-5-2)17(21)19-8-7-13(19)16(20)18-22/h4-5,9-10,13,22H,1-2,6-8H2,3H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (2R)-1-(4-ethenoxy-3-methoxy-5-prop-2-enylbenzoyl)-N-hydroxyazetidine-2-carboxamide?
(2R)-1-(4-ethenoxy-3-methoxy-5-prop-2-enylbenzoyl)-N-hydroxyazetidine-2-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-ethenoxy-3-methoxy-5-prop-2-enylbenzoyl)-N-hydroxyazetidine-2-carboxamide is sourced from PubChem (CID 10471941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).