2-(1-adamantyl)-N-(4-morpholin-4-ylphenyl)acetamide

C22H30N2O2 — CID 3158011

IUPAC2-(1-adamantyl)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H30N2O2/c25-21(15-22-12-16-9-17(13-22)11-18(10-16)14-22)23-19-1-3-20(4-2-19)24-5-7-26-8-6-24/h1-4,16-18H,5-15H2,(H,23,25)
InChIKeyUCHSPMNWTNEMOM-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.07
Rot. Bonds4

About 2-(1-adamantyl)-N-(4-morpholin-4-ylphenyl)acetamide

2-(1-adamantyl)-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 3158011) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID3158011
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2-(1-adamantyl)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H30N2O2/c25-21(15-22-12-16-9-17(13-22)11-18(10-16)14-22)23-19-1-3-20(4-2-19)24-5-7-26-8-6-24/h1-4,16-18H,5-15H2,(H,23,25)
InChIKeyUCHSPMNWTNEMOM-UHFFFAOYSA-N
XLogP4.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-adamantyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 7494662
2-(1-adamantyl)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 17335040
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-(1-adamantyl)acetate
CID 7970991
2-(1-adamantyl)-N-[4-(4-butanoylpiperazin-1-yl)phenyl]acetamide
CID 3250438
2-(1-adamantyl)-N-(4-aminophenyl)acetamide
CID 79987888
2-(3-hydroxy-1-adamantyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 24620546
2-(1-adamantyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]acetamide;hydrochloride
CID 2959958
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate
CID 51985182
2-(1-adamantyl)-N-pyridin-4-ylacetamide
CID 2971527
3-hydroxy-N-(4-morpholin-4-ylphenyl)adamantane-1-carboxamide
CID 4835232

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(4-morpholin-4-ylphenyl)acetamide (CID 3158011) is 2-(1-adamantyl)-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(4-morpholin-4-ylphenyl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(1-adamantyl)-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is UCHSPMNWTNEMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c25-21(15-22-12-16-9-17(13-22)11-18(10-16)14-22)23-19-1-3-20(4-2-19)24-5-7-26-8-6-24/h1-4,16-18H,5-15H2,(H,23,25).
What are the key properties of 2-(1-adamantyl)-N-(4-morpholin-4-ylphenyl)acetamide?
2-(1-adamantyl)-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 354.49 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 3158011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).