4-tert-butyl-N-[2-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide

C23H26N4O4 — CID 41273245

IUPAC4-tert-butyl-N-[2-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H26N4O4/c1-15(31-19-11-5-16(13-24)6-12-19)21(29)27-26-20(28)14-25-22(30)17-7-9-18(10-8-17)23(2,3)4/h5-12,15H,14H2,1-4H3,(H,25,30)(H,26,28)(H,27,29)/t15-/m0/s1
InChIKeyKYEUIXKPLPBSNU-HNNXBMFYSA-N
MW422.49 g/mol
LogP2.20
Rot. Bonds6

About 4-tert-butyl-N-[2-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide

4-tert-butyl-N-[2-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 41273245) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID41273245
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name4-tert-butyl-N-[2-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H26N4O4/c1-15(31-19-11-5-16(13-24)6-12-19)21(29)27-26-20(28)14-25-22(30)17-7-9-18(10-8-17)23(2,3)4/h5-12,15H,14H2,1-4H3,(H,25,30)(H,26,28)(H,27,29)/t15-/m0/s1
InChIKeyKYEUIXKPLPBSNU-HNNXBMFYSA-N
XLogP2.20
TPSA120.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-tert-butylbenzamide
CID 55347760
N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide
CID 78780605
N'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide
CID 46423863
N-[2-[2-(2-naphthalen-2-yloxypropanoyl)hydrazinyl]-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 17475940
N'-[(2R)-2-(4-cyanophenoxy)propanoyl]pyridine-4-carbohydrazide
CID 51543869
N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9343276
N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide
CID 17046478
N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide
CID 7980032
2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 65315312
4-tert-butyl-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 4850375
N-[2-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide
CID 18229898
2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134055001

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide (CID 41273245) is 4-tert-butyl-N-[2-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide is C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is KYEUIXKPLPBSNU-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-15(31-19-11-5-16(13-24)6-12-19)21(29)27-26-20(28)14-25-22(30)17-7-9-18(10-8-17)23(2,3)4/h5-12,15H,14H2,1-4H3,(H,25,30)(H,26,28)(H,27,29)/t15-/m0/s1.
What are the key properties of 4-tert-butyl-N-[2-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 422.49 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 41273245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).