N-(2-adamantyl)-3-(2-methoxyphenyl)propanamide

C20H27NO2 — CID 17461561

IUPACN-(2-adamantyl)-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H27NO2/c1-23-18-5-3-2-4-15(18)6-7-19(22)21-20-16-9-13-8-14(11-16)12-17(20)10-13/h2-5,13-14,16-17,20H,6-12H2,1H3,(H,21,22)
InChIKeyRVHFDNCGROBAIN-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.57
Rot. Bonds5

About N-(2-adamantyl)-3-(2-methoxyphenyl)propanamide

N-(2-adamantyl)-3-(2-methoxyphenyl)propanamide (PubChem CID 17461561) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-(2-adamantyl)-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3-(2-methoxyphenyl)propanamide
PubChem CID17461561
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-(2-adamantyl)-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H27NO2/c1-23-18-5-3-2-4-15(18)6-7-19(22)21-20-16-9-13-8-14(11-16)12-17(20)10-13/h2-5,13-14,16-17,20H,6-12H2,1H3,(H,21,22)
InChIKeyRVHFDNCGROBAIN-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide
CID 104956713
N-[(2-methoxyphenyl)methyl]adamantan-2-amine
CID 784414
3-(2-methoxyphenyl)-N-sulfanylpropanamide
CID 134582208
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide
CID 110399723
3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120573713
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 119609653
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
N-cyclopentyl-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42217184
N-(2,6-diethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 51143891
N-cycloheptyl-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25369260

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-(2-adamantyl)-3-(2-methoxyphenyl)propanamide (CID 17461561) is N-(2-adamantyl)-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2-adamantyl)-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-(2-adamantyl)-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-3-(2-methoxyphenyl)propanamide?
The InChIKey is RVHFDNCGROBAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-23-18-5-3-2-4-15(18)6-7-19(22)21-20-16-9-13-8-14(11-16)12-17(20)10-13/h2-5,13-14,16-17,20H,6-12H2,1H3,(H,21,22).
What are the key properties of N-(2-adamantyl)-3-(2-methoxyphenyl)propanamide?
N-(2-adamantyl)-3-(2-methoxyphenyl)propanamide has a molecular weight of 313.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 17461561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).