N-[(1R)-3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide

C23H31N3O3 — CID 7799897

IUPACN-[(1R)-3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
SMILESCC(=O)N[C@H](CC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C23H31N3O3/c1-15(27)24-20(19-5-3-2-4-6-19)10-21(28)25-26-22(29)14-23-11-16-7-17(12-23)9-18(8-16)13-23/h2-6,16-18,20H,7-14H2,1H3,(H,24,27)(H,25,28)(H,26,29)/t16?,17?,18?,20-,23?/m1/s1
InChIKeyYYDHQAZNLFNXNL-ZTLYHTANSA-N
MW397.52 g/mol
LogP3.01
Rot. Bonds6

About N-[(1R)-3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide

N-[(1R)-3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide (PubChem CID 7799897) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[(1R)-3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
PubChem CID7799897
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[(1R)-3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
SMILESCC(=O)N[C@H](CC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C23H31N3O3/c1-15(27)24-20(19-5-3-2-4-6-19)10-21(28)25-26-22(29)14-23-11-16-7-17(12-23)9-18(8-16)13-23/h2-6,16-18,20H,7-14H2,1H3,(H,24,27)(H,25,28)(H,26,29)/t16?,17?,18?,20-,23?/m1/s1
InChIKeyYYDHQAZNLFNXNL-ZTLYHTANSA-N
XLogP3.01
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(1-adamantyl)acetyl]amino]-3-[(1R)-1-phenylethyl]thiourea
CID 40648066
3-acetamido-N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide
CID 42887045
(2R)-N'-[2-(1-adamantyl)acetyl]-2-phenoxypropanehydrazide
CID 7742298
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607
N-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide
CID 9479293
2-(1-adamantyl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide
CID 7917948
N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 4789962
N-[(1R)-3-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 7999402
3-acetamido-N,N-diethyl-3-phenylpropanamide
CID 78777211
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
N-[3-[2-(cyclopropanecarbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 51195347
2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-phenylacetamide
CID 51315386

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide?
The IUPAC name of N-[(1R)-3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide (CID 7799897) is N-[(1R)-3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide.
What is the SMILES notation for N-[(1R)-3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide?
The canonical SMILES for N-[(1R)-3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide is CC(=O)N[C@H](CC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of N-[(1R)-3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide?
The InChIKey is YYDHQAZNLFNXNL-ZTLYHTANSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-15(27)24-20(19-5-3-2-4-6-19)10-21(28)25-26-22(29)14-23-11-16-7-17(12-23)9-18(8-16)13-23/h2-6,16-18,20H,7-14H2,1H3,(H,24,27)(H,25,28)(H,26,29)/t16?,17?,18?,20-,23?/m1/s1.
What are the key properties of N-[(1R)-3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide?
N-[(1R)-3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide is sourced from PubChem (CID 7799897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).