N-[2-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide

C20H20N4O4 — CID 18229898

IUPACN-[2-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1C
InChIInChI=1S/C20H20N4O4/c1-13-3-6-16(9-14(13)2)20(27)22-11-18(25)23-24-19(26)12-28-17-7-4-15(10-21)5-8-17/h3-9H,11-12H2,1-2H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyFSRXKTKDHRZFIY-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.13
Rot. Bonds6

About N-[2-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide

N-[2-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 18229898) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[2-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID18229898
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-[2-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1C
InChIInChI=1S/C20H20N4O4/c1-13-3-6-16(9-14(13)2)20(27)22-11-18(25)23-24-19(26)12-28-17-7-4-15(10-21)5-8-17/h3-9H,11-12H2,1-2H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyFSRXKTKDHRZFIY-UHFFFAOYSA-N
XLogP1.13
TPSA120.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.13
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

2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 8744068
N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9343276
[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 2407523
N-[3-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 24635797
4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 2571476
N'-[2-(4-cyanophenoxy)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
CID 7978485
ethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate
CID 7978445
2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 46788172
N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide
CID 34572785
N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide
CID 24672619
3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide
CID 26171733
4-tert-butyl-N-[2-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide
CID 41273245

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide (CID 18229898) is N-[2-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1C.
What is the InChIKey of N-[2-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is FSRXKTKDHRZFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-13-3-6-16(9-14(13)2)20(27)22-11-18(25)23-24-19(26)12-28-17-7-4-15(10-21)5-8-17/h3-9H,11-12H2,1-2H3,(H,22,27)(H,23,25)(H,24,26).
What are the key properties of N-[2-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 380.40 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 18229898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).