N-[(2S,3S)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide

C24H33N3O3 — CID 7613266

IUPACN-[(2S,3S)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H33N3O3/c1-3-15(2)20(25-21(28)19-7-5-4-6-8-19)22(29)26-27-23(30)24-12-16-9-17(13-24)11-18(10-16)14-24/h4-8,15-18,20H,3,9-14H2,1-2H3,(H,25,28)(H,26,29)(H,27,30)/t15-,16?,17?,18?,20-,24?/m0/s1
InChIKeyRQPFKHMGUGYOPC-HNVJMHORSA-N
MW411.55 g/mol
LogP3.19
Rot. Bonds6

About N-[(2S,3S)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide

N-[(2S,3S)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 7613266) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[(2S,3S)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID7613266
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-[(2S,3S)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H33N3O3/c1-3-15(2)20(25-21(28)19-7-5-4-6-8-19)22(29)26-27-23(30)24-12-16-9-17(13-24)11-18(10-16)14-24/h4-8,15-18,20H,3,9-14H2,1-2H3,(H,25,28)(H,26,29)(H,27,30)/t15-,16?,17?,18?,20-,24?/m0/s1
InChIKeyRQPFKHMGUGYOPC-HNVJMHORSA-N
XLogP3.19
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.19
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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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[(2S,3S)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide (CID 7613266) is N-[(2S,3S)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[(2S,3S)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[(2S,3S)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide is CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(2S,3S)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is RQPFKHMGUGYOPC-HNVJMHORSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-3-15(2)20(25-21(28)19-7-5-4-6-8-19)22(29)26-27-23(30)24-12-16-9-17(13-24)11-18(10-16)14-24/h4-8,15-18,20H,3,9-14H2,1-2H3,(H,25,28)(H,26,29)(H,27,30)/t15-,16?,17?,18?,20-,24?/m0/s1.
What are the key properties of N-[(2S,3S)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide?
N-[(2S,3S)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 411.55 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 7613266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).