2-(1-adamantyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide

C22H31NO — CID 7303372

IUPAC2-(1-adamantyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc([C@@H](C)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H31NO/c1-3-16-4-6-20(7-5-16)15(2)23-21(24)14-22-11-17-8-18(12-22)10-19(9-17)13-22/h4-7,15,17-19H,3,8-14H2,1-2H3,(H,23,24)/t15-,17?,18?,19?,22?/m1/s1
InChIKeyBZTTTXHMKNUCTK-VZLUNSFSSA-N
MW325.50 g/mol
LogP5.03
Rot. Bonds5

About 2-(1-adamantyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide

2-(1-adamantyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide (PubChem CID 7303372) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
PubChem CID7303372
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name2-(1-adamantyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc([C@@H](C)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H31NO/c1-3-16-4-6-20(7-5-16)15(2)23-21(24)14-22-11-17-8-18(12-22)10-19(9-17)13-22/h4-7,15,17-19H,3,8-14H2,1-2H3,(H,23,24)/t15-,17?,18?,19?,22?/m1/s1
InChIKeyBZTTTXHMKNUCTK-VZLUNSFSSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-adamantyl)-N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]acetamide
CID 55948108
1-[[2-(1-adamantyl)acetyl]amino]-3-[(1R)-1-phenylethyl]thiourea
CID 40648066
N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide
CID 54896208
3-[1-(4-ethylphenyl)ethylamino]-3-oxopropanoic acid
CID 55049684
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7322047
2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79030779
N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 18111449
2-cyano-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 831599
2-(4-chlorophenyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236026
2-[cycloheptyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 18291170
2-(1-adamantylamino)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 9032634

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide (CID 7303372) is 2-(1-adamantyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide is CCc1ccc([C@@H](C)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-(1-adamantyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide?
The InChIKey is BZTTTXHMKNUCTK-VZLUNSFSSA-N. The full InChI is InChI=1S/C22H31NO/c1-3-16-4-6-20(7-5-16)15(2)23-21(24)14-22-11-17-8-18(12-22)10-19(9-17)13-22/h4-7,15,17-19H,3,8-14H2,1-2H3,(H,23,24)/t15-,17?,18?,19?,22?/m1/s1.
What are the key properties of 2-(1-adamantyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide?
2-(1-adamantyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide has a molecular weight of 325.50 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide is sourced from PubChem (CID 7303372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).