2-(1-adamantyl)-N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide

C22H29ClN2O2 — CID 7601493

IUPAC2-(1-adamantyl)-N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide
SMILESCN(Cc1ccccc1Cl)C(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29ClN2O2/c1-25(14-18-4-2-3-5-19(18)23)21(27)13-24-20(26)12-22-9-15-6-16(10-22)8-17(7-15)11-22/h2-5,15-17H,6-14H2,1H3,(H,24,26)
InChIKeyKKGWDHIVVVMPBR-UHFFFAOYSA-N
MW388.94 g/mol
LogP4.02
Rot. Bonds6

About 2-(1-adamantyl)-N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide

2-(1-adamantyl)-N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide (PubChem CID 7601493) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide
PubChem CID7601493
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC Name2-(1-adamantyl)-N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide
SMILESCN(Cc1ccccc1Cl)C(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29ClN2O2/c1-25(14-18-4-2-3-5-19(18)23)21(27)13-24-20(26)12-22-9-15-6-16(10-22)8-17(7-15)11-22/h2-5,15-17H,6-14H2,1H3,(H,24,26)
InChIKeyKKGWDHIVVVMPBR-UHFFFAOYSA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]acetamide
CID 31215833
2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide
CID 8934558
2-(1-adamantyl)-N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 7779910
2-(1-adamantyl)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]acetamide
CID 7809187
N-[2-[1-adamantylmethyl(methyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55437775
N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 60686804
3-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-methylamino]propanoic acid
CID 119362474
2-(1-adamantyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylacetamide
CID 46992355
N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685447
2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 60683247
N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60683172
2-(1-adamantyl)-N-(2-chlorophenyl)acetamide
CID 4563797

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide (CID 7601493) is 2-(1-adamantyl)-N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide is CN(Cc1ccccc1Cl)C(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide?
The InChIKey is KKGWDHIVVVMPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O2/c1-25(14-18-4-2-3-5-19(18)23)21(27)13-24-20(26)12-22-9-15-6-16(10-22)8-17(7-15)11-22/h2-5,15-17H,6-14H2,1H3,(H,24,26).
What are the key properties of 2-(1-adamantyl)-N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide?
2-(1-adamantyl)-N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide has a molecular weight of 388.94 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 7601493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).