N-[2-(dimethylamino)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide

C22H32N2O — CID 974905

IUPACN-[2-(dimethylamino)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide
SMILESCN(C)CCNC(=O)CC12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C22H32N2O/c1-24(2)9-8-23-20(25)15-21-11-17-10-18(12-21)14-22(13-17,16-21)19-6-4-3-5-7-19/h3-7,17-18H,8-16H2,1-2H3,(H,23,25)/t17-,18+,21?,22?
InChIKeyKSZULVLHQDYTAK-OTXOEQGISA-N
MW340.51 g/mol
LogP3.59
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide

N-[2-(dimethylamino)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide (PubChem CID 974905) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide
PubChem CID974905
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide
SMILESCN(C)CCNC(=O)CC12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C22H32N2O/c1-24(2)9-8-23-20(25)15-21-11-17-10-18(12-21)14-22(13-17,16-21)19-6-4-3-5-7-19/h3-7,17-18H,8-16H2,1-2H3,(H,23,25)/t17-,18+,21?,22?
InChIKeyKSZULVLHQDYTAK-OTXOEQGISA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(3-phenyl-1-adamantyl)acetamide
CID 2953915
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5S,7S)-3-phenyl-1-adamantyl]acetamide
CID 98170747
2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide
CID 27835435
N-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide
CID 98145472
N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-(3-phenyl-1-adamantyl)acetamide
CID 163950956
2-[(5R,7S)-3-(4-chlorophenyl)-1-adamantyl]-N-hydroxyacetamide
CID 71524756
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-phenyl-1-adamantyl)acetamide
CID 153310944
N-[[3-(4-methylphenyl)-1-adamantyl]methyl]benzamide
CID 4160024
2-(3,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-N-ethylacetamide
CID 130268861
(5R,7R)-3-phenyl-N-prop-2-enyladamantane-1-carboxamide
CID 98185678
1-(2-morpholin-4-ylethyl)-3-[[(5S,7S)-3-phenyl-1-adamantyl]methyl]urea
CID 98172439
(5S,7S)-3-phenyladamantane-1-carboxylic acid
CID 98062703

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide (CID 974905) is N-[2-(dimethylamino)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide is CN(C)CCNC(=O)CC12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide?
The InChIKey is KSZULVLHQDYTAK-OTXOEQGISA-N. The full InChI is InChI=1S/C22H32N2O/c1-24(2)9-8-23-20(25)15-21-11-17-10-18(12-21)14-22(13-17,16-21)19-6-4-3-5-7-19/h3-7,17-18H,8-16H2,1-2H3,(H,23,25)/t17-,18+,21?,22?.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide?
N-[2-(dimethylamino)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide has a molecular weight of 340.51 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide is sourced from PubChem (CID 974905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).