N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide

C22H25N3O4 — CID 9425412

IUPACN'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
SMILESCc1cccc(O[C@H](C)C(=O)NNC(=O)c2cccc(N3CCCC3=O)c2)c1C
InChIInChI=1S/C22H25N3O4/c1-14-7-4-10-19(15(14)2)29-16(3)21(27)23-24-22(28)17-8-5-9-18(13-17)25-12-6-11-20(25)26/h4-5,7-10,13,16H,6,11-12H2,1-3H3,(H,23,27)(H,24,28)/t16-/m1/s1
InChIKeyJCSCWKYNJBHCGO-MRXNPFEDSA-N
MW395.46 g/mol
LogP2.66
Rot. Bonds5

About N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide

N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide (PubChem CID 9425412) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
PubChem CID9425412
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
SMILESCc1cccc(O[C@H](C)C(=O)NNC(=O)c2cccc(N3CCCC3=O)c2)c1C
InChIInChI=1S/C22H25N3O4/c1-14-7-4-10-19(15(14)2)29-16(3)21(27)23-24-22(28)17-8-5-9-18(13-17)25-12-6-11-20(25)26/h4-5,7-10,13,16H,6,11-12H2,1-3H3,(H,23,27)(H,24,28)/t16-/m1/s1
InChIKeyJCSCWKYNJBHCGO-MRXNPFEDSA-N
XLogP2.66
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(3-bromophenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 46656819
2-(2,3-dimethylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 43077961
3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 34253914
N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbohydrazide
CID 51951969
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide
CID 43004027
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 42887837
3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide
CID 91545272
tert-butyl N-[3-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]carbamate
CID 55388487
N-[2-(difluoromethoxy)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27827122
N-[1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 133199704
N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
CID 9088869
3-methyl-N'-[2-(2-methylphenoxy)propanoyl]benzohydrazide
CID 4010185

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide?
The IUPAC name of N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide (CID 9425412) is N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide.
What is the SMILES notation for N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide?
The canonical SMILES for N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide is Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cccc(N3CCCC3=O)c2)c1C.
What is the InChIKey of N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide?
The InChIKey is JCSCWKYNJBHCGO-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-14-7-4-10-19(15(14)2)29-16(3)21(27)23-24-22(28)17-8-5-9-18(13-17)25-12-6-11-20(25)26/h4-5,7-10,13,16H,6,11-12H2,1-3H3,(H,23,27)(H,24,28)/t16-/m1/s1.
What are the key properties of N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide?
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide has a molecular weight of 395.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide is sourced from PubChem (CID 9425412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).