(2S)-2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-N-(2-methoxy-5-nitrophenyl)propanamide

C20H24N4O6 — CID 7870057

IUPAC(2S)-2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-N-(2-methoxy-5-nitrophenyl)propanamide
SMILESCCc1ccc(OCC(=O)NN[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C20H24N4O6/c1-4-14-5-8-16(9-6-14)30-12-19(25)23-22-13(2)20(26)21-17-11-15(24(27)28)7-10-18(17)29-3/h5-11,13,22H,4,12H2,1-3H3,(H,21,26)(H,23,25)/t13-/m0/s1
InChIKeyNTZCOFREKHRMPT-ZDUSSCGKSA-N
MW416.43 g/mol
LogP2.19
Rot. Bonds10

About (2S)-2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-N-(2-methoxy-5-nitrophenyl)propanamide

(2S)-2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-N-(2-methoxy-5-nitrophenyl)propanamide (PubChem CID 7870057) has the molecular formula C20H24N4O6 and a molecular weight of 416.43 g/mol. Its IUPAC name is (2S)-2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-N-(2-methoxy-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-N-(2-methoxy-5-nitrophenyl)propanamide
PubChem CID7870057
Molecular FormulaC20H24N4O6
Molecular Weight416.43 g/mol
Exact Mass416.17
IUPAC Name(2S)-2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-N-(2-methoxy-5-nitrophenyl)propanamide
SMILESCCc1ccc(OCC(=O)NN[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C20H24N4O6/c1-4-14-5-8-16(9-6-14)30-12-19(25)23-22-13(2)20(26)21-17-11-15(24(27)28)7-10-18(17)29-3/h5-11,13,22H,4,12H2,1-3H3,(H,21,26)(H,23,25)/t13-/m0/s1
InChIKeyNTZCOFREKHRMPT-ZDUSSCGKSA-N
XLogP2.19
TPSA131.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4-ethylphenyl)methyl-[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-methylazanium
CID 8515680
N-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide
CID 60638823
N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17359381
2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3389799
N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782119
1-[(4-ethoxyphenoxy)methyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 108890892
1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea
CID 4055904
2-[(4-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene
CID 60656846
[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-(2-methylpropyl)azanium
CID 8933751
[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 2510158
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782632
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 121050893

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-N-(2-methoxy-5-nitrophenyl)propanamide?
The IUPAC name of (2S)-2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-N-(2-methoxy-5-nitrophenyl)propanamide (CID 7870057) is (2S)-2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-N-(2-methoxy-5-nitrophenyl)propanamide.
What is the SMILES notation for (2S)-2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-N-(2-methoxy-5-nitrophenyl)propanamide?
The canonical SMILES for (2S)-2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-N-(2-methoxy-5-nitrophenyl)propanamide is CCc1ccc(OCC(=O)NN[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1.
What is the InChIKey of (2S)-2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-N-(2-methoxy-5-nitrophenyl)propanamide?
The InChIKey is NTZCOFREKHRMPT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H24N4O6/c1-4-14-5-8-16(9-6-14)30-12-19(25)23-22-13(2)20(26)21-17-11-15(24(27)28)7-10-18(17)29-3/h5-11,13,22H,4,12H2,1-3H3,(H,21,26)(H,23,25)/t13-/m0/s1.
What are the key properties of (2S)-2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-N-(2-methoxy-5-nitrophenyl)propanamide?
(2S)-2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-N-(2-methoxy-5-nitrophenyl)propanamide has a molecular weight of 416.43 g/mol, XLogP of 2.19, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-N-(2-methoxy-5-nitrophenyl)propanamide is sourced from PubChem (CID 7870057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).