(3Z)-N-(4-methoxyphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide

C20H23N3O4 — CID 40521153

IUPAC(3Z)-N-(4-methoxyphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide
SMILESCOc1ccc(NC(=O)C/C(C)=N\NC(=O)[C@@H](OC)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O4/c1-14(13-18(24)21-16-9-11-17(26-2)12-10-16)22-23-20(25)19(27-3)15-7-5-4-6-8-15/h4-12,19H,13H2,1-3H3,(H,21,24)(H,23,25)/b22-14-/t19-/m0/s1
InChIKeyFORUNVDEJKXYOU-MAGMUUGSSA-N
MW369.42 g/mol
LogP2.90
Rot. Bonds8

About (3Z)-N-(4-methoxyphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide

(3Z)-N-(4-methoxyphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide (PubChem CID 40521153) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is (3Z)-N-(4-methoxyphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide.

Molecular Properties

Compound Name(3Z)-N-(4-methoxyphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide
PubChem CID40521153
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name(3Z)-N-(4-methoxyphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide
SMILESCOc1ccc(NC(=O)C/C(C)=N\NC(=O)[C@@H](OC)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O4/c1-14(13-18(24)21-16-9-11-17(26-2)12-10-16)22-23-20(25)19(27-3)15-7-5-4-6-8-15/h4-12,19H,13H2,1-3H3,(H,21,24)(H,23,25)/b22-14-/t19-/m0/s1
InChIKeyFORUNVDEJKXYOU-MAGMUUGSSA-N
XLogP2.90
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 141011644
N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide
CID 6382258
(3Z)-N-(4-methoxyphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6382811
(3Z)-N-(4-chloro-2-methylphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide
CID 7270871
(3Z)-N-(4-chloro-2-methylphenyl)-3-[[(2R)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide
CID 7270870
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
(4-methoxyphenyl)methyl N-[(Z)-[4-(4-anilinoanilino)-4-oxobutan-2-ylidene]amino]carbamate
CID 6382636
N-(4-iodophenyl)-2-methoxy-2-phenylacetamide
CID 55024606
3-[2-(4-bromophenoxy)propanoylhydrazinylidene]-N-phenylbutanamide
CID 3715044
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248614
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248610
N-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 3543666

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(4-methoxyphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide?
The IUPAC name of (3Z)-N-(4-methoxyphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide (CID 40521153) is (3Z)-N-(4-methoxyphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide.
What is the SMILES notation for (3Z)-N-(4-methoxyphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide?
The canonical SMILES for (3Z)-N-(4-methoxyphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide is COc1ccc(NC(=O)C/C(C)=N\NC(=O)[C@@H](OC)c2ccccc2)cc1.
What is the InChIKey of (3Z)-N-(4-methoxyphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide?
The InChIKey is FORUNVDEJKXYOU-MAGMUUGSSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-14(13-18(24)21-16-9-11-17(26-2)12-10-16)22-23-20(25)19(27-3)15-7-5-4-6-8-15/h4-12,19H,13H2,1-3H3,(H,21,24)(H,23,25)/b22-14-/t19-/m0/s1.
What are the key properties of (3Z)-N-(4-methoxyphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide?
(3Z)-N-(4-methoxyphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide has a molecular weight of 369.42 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(4-methoxyphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide is sourced from PubChem (CID 40521153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).