N-(1-adamantylmethyl)-3-(2,5-dimethoxyphenyl)propanamide

C22H31NO3 — CID 46563293

IUPACN-(1-adamantylmethyl)-3-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(CCC(=O)NCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C22H31NO3/c1-25-19-4-5-20(26-2)18(10-19)3-6-21(24)23-14-22-11-15-7-16(12-22)9-17(8-15)13-22/h4-5,10,15-17H,3,6-9,11-14H2,1-2H3,(H,23,24)
InChIKeyQMFPFKZUTIKRGJ-UHFFFAOYSA-N
MW357.49 g/mol
LogP3.97
Rot. Bonds7

About N-(1-adamantylmethyl)-3-(2,5-dimethoxyphenyl)propanamide

N-(1-adamantylmethyl)-3-(2,5-dimethoxyphenyl)propanamide (PubChem CID 46563293) has the molecular formula C22H31NO3 and a molecular weight of 357.49 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-(2,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-(2,5-dimethoxyphenyl)propanamide
PubChem CID46563293
Molecular FormulaC22H31NO3
Molecular Weight357.49 g/mol
Exact Mass357.23
IUPAC NameN-(1-adamantylmethyl)-3-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(CCC(=O)NCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C22H31NO3/c1-25-19-4-5-20(26-2)18(10-19)3-6-21(24)23-14-22-11-15-7-16(12-22)9-17(8-15)13-22/h4-5,10,15-17H,3,6-9,11-14H2,1-2H3,(H,23,24)
InChIKeyQMFPFKZUTIKRGJ-UHFFFAOYSA-N
XLogP3.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38004607
N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 94690716
3-(2,5-dimethoxyphenyl)-N-(2-hydroxypropyl)propanamide
CID 78855932
2-(3-bromo-1-adamantyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 46541541
N-(2-amino-2-ethylbutyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 119639750
3-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721
3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33109851
3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120650953
[2-(1-adamantylmethylamino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903408
3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide
CID 43048906
N-(1-adamantylmethyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 51570177
4-[3-(2,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119230134

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-(2,5-dimethoxyphenyl)propanamide?
The IUPAC name of N-(1-adamantylmethyl)-3-(2,5-dimethoxyphenyl)propanamide (CID 46563293) is N-(1-adamantylmethyl)-3-(2,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-(2,5-dimethoxyphenyl)propanamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-(2,5-dimethoxyphenyl)propanamide is COc1ccc(OC)c(CCC(=O)NCC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(1-adamantylmethyl)-3-(2,5-dimethoxyphenyl)propanamide?
The InChIKey is QMFPFKZUTIKRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO3/c1-25-19-4-5-20(26-2)18(10-19)3-6-21(24)23-14-22-11-15-7-16(12-22)9-17(8-15)13-22/h4-5,10,15-17H,3,6-9,11-14H2,1-2H3,(H,23,24).
What are the key properties of N-(1-adamantylmethyl)-3-(2,5-dimethoxyphenyl)propanamide?
N-(1-adamantylmethyl)-3-(2,5-dimethoxyphenyl)propanamide has a molecular weight of 357.49 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-(2,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 46563293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).