N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-methoxy-5-methylphenyl)acetamide

C22H31NO2 — CID 9192602

IUPACN-[(1R)-1-(1-adamantyl)ethyl]-2-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H31NO2/c1-14-4-5-20(25-3)19(6-14)10-21(24)23-15(2)22-11-16-7-17(12-22)9-18(8-16)13-22/h4-6,15-18H,7-13H2,1-3H3,(H,23,24)/t15-,16?,17?,18?,22?/m1/s1
InChIKeyLGRIIRPKMCMWCV-NOCBQHASSA-N
MW341.50 g/mol
LogP4.27
Rot. Bonds5

About N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-methoxy-5-methylphenyl)acetamide

N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 9192602) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)ethyl]-2-(2-methoxy-5-methylphenyl)acetamide
PubChem CID9192602
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC NameN-[(1R)-1-(1-adamantyl)ethyl]-2-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H31NO2/c1-14-4-5-20(25-3)19(6-14)10-21(24)23-15(2)22-11-16-7-17(12-22)9-18(8-16)13-22/h4-6,15-18H,7-13H2,1-3H3,(H,23,24)/t15-,16?,17?,18?,22?/m1/s1
InChIKeyLGRIIRPKMCMWCV-NOCBQHASSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534676
(E)-N-[1-(1-adamantyl)ethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 18227466
2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 39969472
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2,4-dimethylbenzoate
CID 7796052
N-[1-(1-adamantyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 18076207
N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide
CID 7929641
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871042
N-[(1R)-1-(1-adamantyl)ethyl]-2,4,5-trimethoxybenzamide
CID 7695324
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323929
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323930
N-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide
CID 7302966
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]butanoic acid
CID 43388197

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-methoxy-5-methylphenyl)acetamide (CID 9192602) is N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is LGRIIRPKMCMWCV-NOCBQHASSA-N. The full InChI is InChI=1S/C22H31NO2/c1-14-4-5-20(25-3)19(6-14)10-21(24)23-15(2)22-11-16-7-17(12-22)9-18(8-16)13-22/h4-6,15-18H,7-13H2,1-3H3,(H,23,24)/t15-,16?,17?,18?,22?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-methoxy-5-methylphenyl)acetamide?
N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 341.50 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 9192602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).