(2S)-N'-[2-(1-adamantyl)acetyl]-2-(4-chlorophenoxy)propanehydrazide

C21H27ClN2O3 — CID 7917939

IUPAC(2S)-N'-[2-(1-adamantyl)acetyl]-2-(4-chlorophenoxy)propanehydrazide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H27ClN2O3/c1-13(27-18-4-2-17(22)3-5-18)20(26)24-23-19(25)12-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,13-16H,6-12H2,1H3,(H,23,25)(H,24,26)/t13-,14?,15?,16?,21?/m0/s1
InChIKeyXXJCXGIAJXNALS-JHMRYYBSSA-N
MW390.91 g/mol
LogP3.86
Rot. Bonds5

About (2S)-N'-[2-(1-adamantyl)acetyl]-2-(4-chlorophenoxy)propanehydrazide

(2S)-N'-[2-(1-adamantyl)acetyl]-2-(4-chlorophenoxy)propanehydrazide (PubChem CID 7917939) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is (2S)-N'-[2-(1-adamantyl)acetyl]-2-(4-chlorophenoxy)propanehydrazide.

Molecular Properties

Compound Name(2S)-N'-[2-(1-adamantyl)acetyl]-2-(4-chlorophenoxy)propanehydrazide
PubChem CID7917939
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC Name(2S)-N'-[2-(1-adamantyl)acetyl]-2-(4-chlorophenoxy)propanehydrazide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H27ClN2O3/c1-13(27-18-4-2-17(22)3-5-18)20(26)24-23-19(25)12-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,13-16H,6-12H2,1H3,(H,23,25)(H,24,26)/t13-,14?,15?,16?,21?/m0/s1
InChIKeyXXJCXGIAJXNALS-JHMRYYBSSA-N
XLogP3.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N'-[2-(1-adamantyl)acetyl]-2-phenoxypropanehydrazide
CID 7742298
2-(1-adamantyl)-N-[4-(4-chlorophenoxy)phenyl]acetamide
CID 3621040
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 40611223
2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 55348588
2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide
CID 9475144
1-[[(2S)-2-(4-chlorophenoxy)propanoyl]amino]-3-methylthiourea
CID 7201415
N'-[2-(1-adamantyl)acetyl]-3,3,3-trifluoro-2-methylpropanehydrazide
CID 75533847
2-(1-adamantyl)-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]acetamide
CID 4820820
2-(4-chlorophenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4944112
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 133249921
N'-[2-(4-chlorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 4940235

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-[2-(1-adamantyl)acetyl]-2-(4-chlorophenoxy)propanehydrazide?
The IUPAC name of (2S)-N'-[2-(1-adamantyl)acetyl]-2-(4-chlorophenoxy)propanehydrazide (CID 7917939) is (2S)-N'-[2-(1-adamantyl)acetyl]-2-(4-chlorophenoxy)propanehydrazide.
What is the SMILES notation for (2S)-N'-[2-(1-adamantyl)acetyl]-2-(4-chlorophenoxy)propanehydrazide?
The canonical SMILES for (2S)-N'-[2-(1-adamantyl)acetyl]-2-(4-chlorophenoxy)propanehydrazide is C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2S)-N'-[2-(1-adamantyl)acetyl]-2-(4-chlorophenoxy)propanehydrazide?
The InChIKey is XXJCXGIAJXNALS-JHMRYYBSSA-N. The full InChI is InChI=1S/C21H27ClN2O3/c1-13(27-18-4-2-17(22)3-5-18)20(26)24-23-19(25)12-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,13-16H,6-12H2,1H3,(H,23,25)(H,24,26)/t13-,14?,15?,16?,21?/m0/s1.
What are the key properties of (2S)-N'-[2-(1-adamantyl)acetyl]-2-(4-chlorophenoxy)propanehydrazide?
(2S)-N'-[2-(1-adamantyl)acetyl]-2-(4-chlorophenoxy)propanehydrazide has a molecular weight of 390.91 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[2-(1-adamantyl)acetyl]-2-(4-chlorophenoxy)propanehydrazide is sourced from PubChem (CID 7917939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).