N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C25H29N3O3 — CID 7978653

IUPACN-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H29N3O3/c29-22(11-20-6-3-5-19-4-1-2-7-21(19)20)26-15-23(30)27-28-24(31)25-12-16-8-17(13-25)10-18(9-16)14-25/h1-7,16-18H,8-15H2,(H,26,29)(H,27,30)(H,28,31)
InChIKeyABCMYTWXAPRRSN-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.86
Rot. Bonds5

About N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 7978653) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID7978653
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H29N3O3/c29-22(11-20-6-3-5-19-4-1-2-7-21(19)20)26-15-23(30)27-28-24(31)25-12-16-8-17(13-25)10-18(9-16)14-25/h1-7,16-18H,8-15H2,(H,26,29)(H,27,30)(H,28,31)
InChIKeyABCMYTWXAPRRSN-UHFFFAOYSA-N
XLogP2.86
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.86
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

[2-(1-adamantyl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573277
N-[2-[1-adamantylmethyl(methyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55437775
N-[1-(1-adamantyl)ethylideneamino]-2-naphthalen-1-ylacetamide
CID 4667670
N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 46423856
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
2-naphthalen-1-yl-N-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethyl]acetamide
CID 7677981
N-[[4-[(adamantane-1-carbonylamino)carbamoyl]phenyl]methyl]acetamide
CID 18107557
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
N-[2-[2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9410333
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847
N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 34573326

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 7978653) is N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)NCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is ABCMYTWXAPRRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c29-22(11-20-6-3-5-19-4-1-2-7-21(19)20)26-15-23(30)27-28-24(31)25-12-16-8-17(13-25)10-18(9-16)14-25/h1-7,16-18H,8-15H2,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 419.53 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 7978653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).