(2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide

C20H27NO3 — CID 42063752

IUPAC(2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H27NO3/c1-13(24-18-5-3-17(23-2)4-6-18)19(22)21-20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,13-16H,7-12H2,1-2H3,(H,21,22)/t13-,14?,15?,16?,20?/m1/s1
InChIKeyPHBGVUBDQLCWEK-XXWNAHEMSA-N
MW329.44 g/mol
LogP3.55
Rot. Bonds5

About (2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide

(2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide (PubChem CID 42063752) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide
PubChem CID42063752
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name(2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H27NO3/c1-13(24-18-5-3-17(23-2)4-6-18)19(22)21-20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,13-16H,7-12H2,1-2H3,(H,21,22)/t13-,14?,15?,16?,20?/m1/s1
InChIKeyPHBGVUBDQLCWEK-XXWNAHEMSA-N
XLogP3.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide
CID 112804482
(2S)-N-(1-adamantyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide
CID 9130350
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
N-(1-adamantyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 17499638
1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81164171
methyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate
CID 46515245
N'-(1-adamantyl)-N-[(4-methoxyphenyl)methyl]butanediamide
CID 4028517
N-methoxy-2-(4-methoxyphenoxy)propanamide
CID 46565224
N-(1-adamantyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 29318028
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-methylbenzoate
CID 7972027
(2R)-N-(1-adamantyl)-2-phenoxybutanamide
CID 40584781
(2S)-N-(1-adamantyl)-2-phenoxybutanamide
CID 40579727

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of (2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide (CID 42063752) is (2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for (2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide is COc1ccc(O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of (2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide?
The InChIKey is PHBGVUBDQLCWEK-XXWNAHEMSA-N. The full InChI is InChI=1S/C20H27NO3/c1-13(24-18-5-3-17(23-2)4-6-18)19(22)21-20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,13-16H,7-12H2,1-2H3,(H,21,22)/t13-,14?,15?,16?,20?/m1/s1.
What are the key properties of (2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide?
(2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide has a molecular weight of 329.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 42063752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).