1-(adamantane-1-carbonyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide

C27H37N3O5 — CID 55343904

IUPAC1-(adamantane-1-carbonyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)C2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C27H37N3O5/c1-3-34-21-6-8-22(9-7-21)35-17(2)24(31)28-29-25(32)23-5-4-10-30(23)26(33)27-14-18-11-19(15-27)13-20(12-18)16-27/h6-9,17-20,23H,3-5,10-16H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyNUKAHQVIAUOPGA-UHFFFAOYSA-N
MW483.61 g/mol
LogP3.21
Rot. Bonds7

About 1-(adamantane-1-carbonyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide

1-(adamantane-1-carbonyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide (PubChem CID 55343904) has the molecular formula C27H37N3O5 and a molecular weight of 483.61 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide
PubChem CID55343904
Molecular FormulaC27H37N3O5
Molecular Weight483.61 g/mol
Exact Mass483.27
IUPAC Name1-(adamantane-1-carbonyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)C2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C27H37N3O5/c1-3-34-21-6-8-22(9-7-21)35-17(2)24(31)28-29-25(32)23-5-4-10-30(23)26(33)27-14-18-11-19(15-27)13-20(12-18)16-27/h6-9,17-20,23H,3-5,10-16H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyNUKAHQVIAUOPGA-UHFFFAOYSA-N
XLogP3.21
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dichlorobenzoyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide
CID 55605777
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
CID 9343434
N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
CID 9343438
1-(adamantane-1-carbonyl)-N-[2-(4-chlorophenoxy)ethyl]pyrrolidine-2-carboxamide
CID 55372770
1-(adamantane-1-carbonyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 55328544
(2R)-N'-(2-cyclopentylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide
CID 9343458
1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503305
1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119508361
N'-[(2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 32821618
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
[1-(3-methoxyanilino)-1-oxopropan-2-yl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 167807676
[1-(2-chloroanilino)-1-oxopropan-2-yl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 55421281

Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide?
The IUPAC name of 1-(adamantane-1-carbonyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide (CID 55343904) is 1-(adamantane-1-carbonyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide.
What is the SMILES notation for 1-(adamantane-1-carbonyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide?
The canonical SMILES for 1-(adamantane-1-carbonyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide is CCOc1ccc(OC(C)C(=O)NNC(=O)C2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 1-(adamantane-1-carbonyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide?
The InChIKey is NUKAHQVIAUOPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O5/c1-3-34-21-6-8-22(9-7-21)35-17(2)24(31)28-29-25(32)23-5-4-10-30(23)26(33)27-14-18-11-19(15-27)13-20(12-18)16-27/h6-9,17-20,23H,3-5,10-16H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 1-(adamantane-1-carbonyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide?
1-(adamantane-1-carbonyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide has a molecular weight of 483.61 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide is sourced from PubChem (CID 55343904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).