(2S)-N'-(2-anilinoacetyl)-2-(6-methoxynaphthalen-2-yl)propanehydrazide

C22H23N3O3 — CID 47066845

IUPAC(2S)-N'-(2-anilinoacetyl)-2-(6-methoxynaphthalen-2-yl)propanehydrazide
SMILESCOc1ccc2cc([C@H](C)C(=O)NNC(=O)CNc3ccccc3)ccc2c1
InChIInChI=1S/C22H23N3O3/c1-15(16-8-9-18-13-20(28-2)11-10-17(18)12-16)22(27)25-24-21(26)14-23-19-6-4-3-5-7-19/h3-13,15,23H,14H2,1-2H3,(H,24,26)(H,25,27)/t15-/m0/s1
InChIKeyFVAPMEUANCRFEJ-HNNXBMFYSA-N
MW377.44 g/mol
LogP3.21
Rot. Bonds6

About (2S)-N'-(2-anilinoacetyl)-2-(6-methoxynaphthalen-2-yl)propanehydrazide

(2S)-N'-(2-anilinoacetyl)-2-(6-methoxynaphthalen-2-yl)propanehydrazide (PubChem CID 47066845) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (2S)-N'-(2-anilinoacetyl)-2-(6-methoxynaphthalen-2-yl)propanehydrazide.

Molecular Properties

Compound Name(2S)-N'-(2-anilinoacetyl)-2-(6-methoxynaphthalen-2-yl)propanehydrazide
PubChem CID47066845
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(2S)-N'-(2-anilinoacetyl)-2-(6-methoxynaphthalen-2-yl)propanehydrazide
SMILESCOc1ccc2cc([C@H](C)C(=O)NNC(=O)CNc3ccccc3)ccc2c1
InChIInChI=1S/C22H23N3O3/c1-15(16-8-9-18-13-20(28-2)11-10-17(18)12-16)22(27)25-24-21(26)14-23-19-6-4-3-5-7-19/h3-13,15,23H,14H2,1-2H3,(H,24,26)(H,25,27)/t15-/m0/s1
InChIKeyFVAPMEUANCRFEJ-HNNXBMFYSA-N
XLogP3.21
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N'-[2-(4-fluorophenoxy)acetyl]-2-(6-methoxynaphthalen-2-yl)propanehydrazide
CID 9379131
(2S)-N'-[2-(4-chlorophenyl)acetyl]-2-(6-methoxynaphthalen-2-yl)propanehydrazide
CID 46656893
2-anilino-N-[bis(4-methoxyphenyl)methyl]acetamide
CID 18197509
(2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951841
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide
CID 54789941
(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 9427304
2-anilino-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119693477
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
[4-[2-[2-(6-methoxynaphthalen-2-yl)propanoyl]hydrazinyl]-4-oxobutyl] nitrate
CID 73081355
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-methylphenyl)propanamide
CID 9038954
N-[3-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54790136

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-(2-anilinoacetyl)-2-(6-methoxynaphthalen-2-yl)propanehydrazide?
The IUPAC name of (2S)-N'-(2-anilinoacetyl)-2-(6-methoxynaphthalen-2-yl)propanehydrazide (CID 47066845) is (2S)-N'-(2-anilinoacetyl)-2-(6-methoxynaphthalen-2-yl)propanehydrazide.
What is the SMILES notation for (2S)-N'-(2-anilinoacetyl)-2-(6-methoxynaphthalen-2-yl)propanehydrazide?
The canonical SMILES for (2S)-N'-(2-anilinoacetyl)-2-(6-methoxynaphthalen-2-yl)propanehydrazide is COc1ccc2cc([C@H](C)C(=O)NNC(=O)CNc3ccccc3)ccc2c1.
What is the InChIKey of (2S)-N'-(2-anilinoacetyl)-2-(6-methoxynaphthalen-2-yl)propanehydrazide?
The InChIKey is FVAPMEUANCRFEJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15(16-8-9-18-13-20(28-2)11-10-17(18)12-16)22(27)25-24-21(26)14-23-19-6-4-3-5-7-19/h3-13,15,23H,14H2,1-2H3,(H,24,26)(H,25,27)/t15-/m0/s1.
What are the key properties of (2S)-N'-(2-anilinoacetyl)-2-(6-methoxynaphthalen-2-yl)propanehydrazide?
(2S)-N'-(2-anilinoacetyl)-2-(6-methoxynaphthalen-2-yl)propanehydrazide has a molecular weight of 377.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-(2-anilinoacetyl)-2-(6-methoxynaphthalen-2-yl)propanehydrazide is sourced from PubChem (CID 47066845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).