N-[1-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide

C20H24N4O4 — CID 55350949

IUPACN-[1-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCOc1ccc(NCC(=O)NNC(=O)C(C)NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C20H24N4O4/c1-13-5-4-6-15(11-13)20(27)22-14(2)19(26)24-23-18(25)12-21-16-7-9-17(28-3)10-8-16/h4-11,14,21H,12H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyXQYFNIRZJQVHDV-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.38
Rot. Bonds7

About N-[1-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide

N-[1-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide (PubChem CID 55350949) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[1-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
PubChem CID55350949
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-[1-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCOc1ccc(NCC(=O)NNC(=O)C(C)NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C20H24N4O4/c1-13-5-4-6-15(11-13)20(27)22-14(2)19(26)24-23-18(25)12-21-16-7-9-17(28-3)10-8-16/h4-11,14,21H,12H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyXQYFNIRZJQVHDV-UHFFFAOYSA-N
XLogP1.38
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethoxy-N-[1-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55350659
5-bromo-N-[1-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55832847
3-methyl-N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]benzamide
CID 54822485
1-[[2-(4-methoxyanilino)acetyl]amino]-3-(3-methylphenyl)thiourea
CID 8617470
3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]benzamide
CID 54840407
N-[(2S)-1-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 9425095
N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 86995853
N-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide
CID 54814544
3-methyl-N-[4-[[2-[3-(propan-2-ylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54833495
N-[1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55886033
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide
CID 43916366
N'-[2-(4-methoxyanilino)acetyl]-5-methyl-1-benzofuran-2-carbohydrazide
CID 55939760

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide (CID 55350949) is N-[1-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide is COc1ccc(NCC(=O)NNC(=O)C(C)NC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of N-[1-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide?
The InChIKey is XQYFNIRZJQVHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-13-5-4-6-15(11-13)20(27)22-14(2)19(26)24-23-18(25)12-21-16-7-9-17(28-3)10-8-16/h4-11,14,21H,12H2,1-3H3,(H,22,27)(H,23,25)(H,24,26).
What are the key properties of N-[1-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide?
N-[1-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide has a molecular weight of 384.44 g/mol, XLogP of 1.38, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 55350949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).