2-(1-adamantyl)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]acetamide

C22H29ClN2O2 — CID 27646790

IUPAC2-(1-adamantyl)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]acetamide
SMILESO=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCCc1ccc(Cl)cc1
InChIInChI=1S/C22H29ClN2O2/c23-19-3-1-15(2-4-19)5-6-24-21(27)14-25-20(26)13-22-10-16-7-17(11-22)9-18(8-16)12-22/h1-4,16-18H,5-14H2,(H,24,27)(H,25,26)
InChIKeyZZUFALZBYZDYMM-UHFFFAOYSA-N
MW388.94 g/mol
LogP3.72
Rot. Bonds7

About 2-(1-adamantyl)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]acetamide

2-(1-adamantyl)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]acetamide (PubChem CID 27646790) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]acetamide
PubChem CID27646790
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC Name2-(1-adamantyl)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]acetamide
SMILESO=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCCc1ccc(Cl)cc1
InChIInChI=1S/C22H29ClN2O2/c23-19-3-1-15(2-4-19)5-6-24-21(27)14-25-20(26)13-22-10-16-7-17(11-22)9-18(8-16)12-22/h1-4,16-18H,5-14H2,(H,24,27)(H,25,26)
InChIKeyZZUFALZBYZDYMM-UHFFFAOYSA-N
XLogP3.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]acetamide
CID 4820820
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,5-dichlorobenzamide
CID 108539745
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,4-dichlorobenzamide
CID 108571535
2-(1-adamantyl)-N-[4-[2-(dimethylcarbamoylamino)ethyl]phenyl]acetamide
CID 166321688
2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 51163037
N-[2-(4-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 61260038
2-(1-adamantyl)-N-(2-chloroethyl)acetamide
CID 79986232
2-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]phenyl]-N-methylacetamide
CID 38404079
2-(1-adamantyl)-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]acetamide
CID 108539727
2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide
CID 2741139
N-[3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxopropyl]-4-chlorobenzamide
CID 9475167
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-3-chlorobenzamide
CID 108539477

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]acetamide (CID 27646790) is 2-(1-adamantyl)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]acetamide is O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]acetamide?
The InChIKey is ZZUFALZBYZDYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O2/c23-19-3-1-15(2-4-19)5-6-24-21(27)14-25-20(26)13-22-10-16-7-17(11-22)9-18(8-16)12-22/h1-4,16-18H,5-14H2,(H,24,27)(H,25,26).
What are the key properties of 2-(1-adamantyl)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]acetamide?
2-(1-adamantyl)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]acetamide has a molecular weight of 388.94 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 27646790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).