(3S)-N-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide

C22H26ClN3O3 — CID 7324444

IUPAC(3S)-N-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide
SMILESCc1ccc(NC(=O)C[C@H](C)CC(=O)NNC(=O)CCc2ccccc2)cc1Cl
InChIInChI=1S/C22H26ClN3O3/c1-15(12-21(28)24-18-10-8-16(2)19(23)14-18)13-22(29)26-25-20(27)11-9-17-6-4-3-5-7-17/h3-8,10,14-15H,9,11-13H2,1-2H3,(H,24,28)(H,25,27)(H,26,29)/t15-/m0/s1
InChIKeyALCDYLMTUKZTFT-HNNXBMFYSA-N
MW415.92 g/mol
LogP3.78
Rot. Bonds8

About (3S)-N-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide

(3S)-N-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide (PubChem CID 7324444) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is (3S)-N-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide.

Molecular Properties

Compound Name(3S)-N-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide
PubChem CID7324444
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name(3S)-N-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide
SMILESCc1ccc(NC(=O)C[C@H](C)CC(=O)NNC(=O)CCc2ccccc2)cc1Cl
InChIInChI=1S/C22H26ClN3O3/c1-15(12-21(28)24-18-10-8-16(2)19(23)14-18)13-22(29)26-25-20(27)11-9-17-6-4-3-5-7-17/h3-8,10,14-15H,9,11-13H2,1-2H3,(H,24,28)(H,25,27)(H,26,29)/t15-/m0/s1
InChIKeyALCDYLMTUKZTFT-HNNXBMFYSA-N
XLogP3.78
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide
CID 3498149
N-(3-chloro-4-methylphenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide
CID 3383669
(3R)-N-benzyl-N'-(3-chloro-4-methylphenyl)-3-methylpentanediamide
CID 7321085
N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024309
(3Z)-N-(3-chloro-4-methylphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6041509
(3S)-N-(3-chloro-4-methylphenyl)-5-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-5-oxopentanamide
CID 7324293
(2R)-2-(benzylamino)-4-(3-chloro-4-methylanilino)-4-oxobutanoic acid
CID 6936442
5-(3-chloro-4-methylanilino)-5-oxo-3-phenylpentanoic acid
CID 2826171
N-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide
CID 63936302
N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
CID 1234574
3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 109020626
(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide
CID 2665891

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide?
The IUPAC name of (3S)-N-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide (CID 7324444) is (3S)-N-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide.
What is the SMILES notation for (3S)-N-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide?
The canonical SMILES for (3S)-N-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide is Cc1ccc(NC(=O)C[C@H](C)CC(=O)NNC(=O)CCc2ccccc2)cc1Cl.
What is the InChIKey of (3S)-N-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide?
The InChIKey is ALCDYLMTUKZTFT-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-15(12-21(28)24-18-10-8-16(2)19(23)14-18)13-22(29)26-25-20(27)11-9-17-6-4-3-5-7-17/h3-8,10,14-15H,9,11-13H2,1-2H3,(H,24,28)(H,25,27)(H,26,29)/t15-/m0/s1.
What are the key properties of (3S)-N-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide?
(3S)-N-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide has a molecular weight of 415.92 g/mol, XLogP of 3.78, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-5-[2-(3-phenylpropanoyl)hydrazinyl]pentanamide is sourced from PubChem (CID 7324444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).