(2R)-1-[4-(dimethoxymethyl)benzoyl]-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)pyrrolidine-2-carboxamide

C19H28N4O5 — CID 102392381

IUPAC(2R)-1-[4-(dimethoxymethyl)benzoyl]-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
SMILESCOC(OC)c1ccc(C(=O)N2CCC[C@@H]2C(=O)NC(C)(C)C(=O)NN)cc1
InChIInChI=1S/C19H28N4O5/c1-19(2,18(26)22-20)21-15(24)14-6-5-11-23(14)16(25)12-7-9-13(10-8-12)17(27-3)28-4/h7-10,14,17H,5-6,11,20H2,1-4H3,(H,21,24)(H,22,26)/t14-/m1/s1
InChIKeySPXGTWGBWRPNPO-CQSZACIVSA-N
MW392.46 g/mol
LogP0.47
Rot. Bonds7

About (2R)-1-[4-(dimethoxymethyl)benzoyl]-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)pyrrolidine-2-carboxamide

(2R)-1-[4-(dimethoxymethyl)benzoyl]-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 102392381) has the molecular formula C19H28N4O5 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2R)-1-[4-(dimethoxymethyl)benzoyl]-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[4-(dimethoxymethyl)benzoyl]-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
PubChem CID102392381
Molecular FormulaC19H28N4O5
Molecular Weight392.46 g/mol
Exact Mass392.21
IUPAC Name(2R)-1-[4-(dimethoxymethyl)benzoyl]-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
SMILESCOC(OC)c1ccc(C(=O)N2CCC[C@@H]2C(=O)NC(C)(C)C(=O)NN)cc1
InChIInChI=1S/C19H28N4O5/c1-19(2,18(26)22-20)21-15(24)14-6-5-11-23(14)16(25)12-7-9-13(10-8-12)17(27-3)28-4/h7-10,14,17H,5-6,11,20H2,1-4H3,(H,21,24)(H,22,26)/t14-/m1/s1
InChIKeySPXGTWGBWRPNPO-CQSZACIVSA-N
XLogP0.47
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[4-(dimethoxymethyl)benzoyl]-N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 102290347
(2S)-1-[4-(dimethoxymethyl)benzoyl]-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide
CID 100951099
(2R)-N-[(1S)-1-(4-chlorophenyl)-2-hydrazinyl-2-oxoethyl]-1-[4-(dimethoxymethyl)benzoyl]pyrrolidine-2-carboxamide
CID 102454242
(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
CID 11345650
methyl (2R)-1-[4-(2-methylpropoxy)benzoyl]pyrrolidine-2-carboxylate
CID 908839
N-cyclopentyl-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 53015958
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
methyl (2S)-1-(4-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylate
CID 908743
(2R)-N-cyclopropyl-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxamide
CID 94061711
methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
CID 833629
tert-butyl (2R)-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate
CID 115535890
(2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide
CID 46986685

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(dimethoxymethyl)benzoyl]-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[4-(dimethoxymethyl)benzoyl]-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)pyrrolidine-2-carboxamide (CID 102392381) is (2R)-1-[4-(dimethoxymethyl)benzoyl]-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[4-(dimethoxymethyl)benzoyl]-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[4-(dimethoxymethyl)benzoyl]-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)pyrrolidine-2-carboxamide is COC(OC)c1ccc(C(=O)N2CCC[C@@H]2C(=O)NC(C)(C)C(=O)NN)cc1.
What is the InChIKey of (2R)-1-[4-(dimethoxymethyl)benzoyl]-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is SPXGTWGBWRPNPO-CQSZACIVSA-N. The full InChI is InChI=1S/C19H28N4O5/c1-19(2,18(26)22-20)21-15(24)14-6-5-11-23(14)16(25)12-7-9-13(10-8-12)17(27-3)28-4/h7-10,14,17H,5-6,11,20H2,1-4H3,(H,21,24)(H,22,26)/t14-/m1/s1.
What are the key properties of (2R)-1-[4-(dimethoxymethyl)benzoyl]-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)pyrrolidine-2-carboxamide?
(2R)-1-[4-(dimethoxymethyl)benzoyl]-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(dimethoxymethyl)benzoyl]-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102392381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).