(2S,3S)-N-hydroxy-3-methoxy-1-[4-(4-propylphenyl)benzoyl]pyrrolidine-2-carboxamide

C22H26N2O4 — CID 23582240

IUPAC(2S,3S)-N-hydroxy-3-methoxy-1-[4-(4-propylphenyl)benzoyl]pyrrolidine-2-carboxamide
SMILESCCCc1ccc(-c2ccc(C(=O)N3CC[C@H](OC)[C@H]3C(=O)NO)cc2)cc1
InChIInChI=1S/C22H26N2O4/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)22(26)24-14-13-19(28-2)20(24)21(25)23-27/h5-12,19-20,27H,3-4,13-14H2,1-2H3,(H,23,25)/t19-,20-/m0/s1
InChIKeyWKWYVBCCPNXSSG-PMACEKPBSA-N
MW382.46 g/mol
LogP3.04
Rot. Bonds6

About (2S,3S)-N-hydroxy-3-methoxy-1-[4-(4-propylphenyl)benzoyl]pyrrolidine-2-carboxamide

(2S,3S)-N-hydroxy-3-methoxy-1-[4-(4-propylphenyl)benzoyl]pyrrolidine-2-carboxamide (PubChem CID 23582240) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is (2S,3S)-N-hydroxy-3-methoxy-1-[4-(4-propylphenyl)benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-hydroxy-3-methoxy-1-[4-(4-propylphenyl)benzoyl]pyrrolidine-2-carboxamide
PubChem CID23582240
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name(2S,3S)-N-hydroxy-3-methoxy-1-[4-(4-propylphenyl)benzoyl]pyrrolidine-2-carboxamide
SMILESCCCc1ccc(-c2ccc(C(=O)N3CC[C@H](OC)[C@H]3C(=O)NO)cc2)cc1
InChIInChI=1S/C22H26N2O4/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)22(26)24-14-13-19(28-2)20(24)21(25)23-27/h5-12,19-20,27H,3-4,13-14H2,1-2H3,(H,23,25)/t19-,20-/m0/s1
InChIKeyWKWYVBCCPNXSSG-PMACEKPBSA-N
XLogP3.04
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
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

(2S,3R,4S)-4-amino-N,3-dihydroxy-1-[4-(4-propylphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 23582244
1-[(2S,3R)-3-hydroxy-1-[4-(4-propylphenyl)benzoyl]pyrrolidin-2-yl]-2-phenylmethoxyethanone
CID 59162881
(2-methylaziridin-1-yl)-(4-propylphenyl)methanone
CID 22282369
methyl 4-[4-(4-propylphenyl)phenyl]benzoate
CID 142331537
methyl (2S,3R)-3-hydroxy-1-[2-(4-propylphenyl)benzoyl]pyrrolidine-2-carboxylate
CID 66619662
N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide
CID 91762361
cyclopropyl-[4-(4-propylphenyl)phenyl]methanone
CID 145118080
[4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 119546057
methyl 1-(3-propylbenzoyl)azetidine-2-carboxylate
CID 68685528
1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 63424296
(4-cyclopropylidenepiperidin-1-yl)-(4-propylphenyl)methanone
CID 121186842
[4-(2-aminoethyl)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83053387

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-hydroxy-3-methoxy-1-[4-(4-propylphenyl)benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,3S)-N-hydroxy-3-methoxy-1-[4-(4-propylphenyl)benzoyl]pyrrolidine-2-carboxamide (CID 23582240) is (2S,3S)-N-hydroxy-3-methoxy-1-[4-(4-propylphenyl)benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,3S)-N-hydroxy-3-methoxy-1-[4-(4-propylphenyl)benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,3S)-N-hydroxy-3-methoxy-1-[4-(4-propylphenyl)benzoyl]pyrrolidine-2-carboxamide is CCCc1ccc(-c2ccc(C(=O)N3CC[C@H](OC)[C@H]3C(=O)NO)cc2)cc1.
What is the InChIKey of (2S,3S)-N-hydroxy-3-methoxy-1-[4-(4-propylphenyl)benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is WKWYVBCCPNXSSG-PMACEKPBSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)22(26)24-14-13-19(28-2)20(24)21(25)23-27/h5-12,19-20,27H,3-4,13-14H2,1-2H3,(H,23,25)/t19-,20-/m0/s1.
What are the key properties of (2S,3S)-N-hydroxy-3-methoxy-1-[4-(4-propylphenyl)benzoyl]pyrrolidine-2-carboxamide?
(2S,3S)-N-hydroxy-3-methoxy-1-[4-(4-propylphenyl)benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-hydroxy-3-methoxy-1-[4-(4-propylphenyl)benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 23582240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).