(2S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-cyclopropyl-2-phenylacetamide

C22H29N3O2 — CID 26619889

IUPAC(2S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-cyclopropyl-2-phenylacetamide
SMILESO=C(NC1CC1)[C@@H](NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C22H29N3O2/c26-20(23-18-6-7-18)19(17-4-2-1-3-5-17)24-25-21(27)22-11-14-8-15(12-22)10-16(9-14)13-22/h1-5,14-16,18-19,24H,6-13H2,(H,23,26)(H,25,27)/t14?,15?,16?,19-,22?/m0/s1
InChIKeyMEQDIBFMBAMXRG-NAVXVDNBSA-N
MW367.49 g/mol
LogP2.84
Rot. Bonds6

About (2S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-cyclopropyl-2-phenylacetamide

(2S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-cyclopropyl-2-phenylacetamide (PubChem CID 26619889) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-cyclopropyl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-cyclopropyl-2-phenylacetamide
PubChem CID26619889
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(2S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-cyclopropyl-2-phenylacetamide
SMILESO=C(NC1CC1)[C@@H](NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C22H29N3O2/c26-20(23-18-6-7-18)19(17-4-2-1-3-5-17)24-25-21(27)22-11-14-8-15(12-22)10-16(9-14)13-22/h1-5,14-16,18-19,24H,6-13H2,(H,23,26)(H,25,27)/t14?,15?,16?,19-,22?/m0/s1
InChIKeyMEQDIBFMBAMXRG-NAVXVDNBSA-N
XLogP2.84
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.84
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 (2S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-cyclopropyl-2-phenylacetamide?
The IUPAC name of (2S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-cyclopropyl-2-phenylacetamide (CID 26619889) is (2S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-cyclopropyl-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-cyclopropyl-2-phenylacetamide?
The canonical SMILES for (2S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-cyclopropyl-2-phenylacetamide is O=C(NC1CC1)[C@@H](NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of (2S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-cyclopropyl-2-phenylacetamide?
The InChIKey is MEQDIBFMBAMXRG-NAVXVDNBSA-N. The full InChI is InChI=1S/C22H29N3O2/c26-20(23-18-6-7-18)19(17-4-2-1-3-5-17)24-25-21(27)22-11-14-8-15(12-22)10-16(9-14)13-22/h1-5,14-16,18-19,24H,6-13H2,(H,23,26)(H,25,27)/t14?,15?,16?,19-,22?/m0/s1.
What are the key properties of (2S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-cyclopropyl-2-phenylacetamide?
(2S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-cyclopropyl-2-phenylacetamide has a molecular weight of 367.49 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-cyclopropyl-2-phenylacetamide is sourced from PubChem (CID 26619889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).