N-(1-adamantylmethyl)-3-phenoxypropanamide

C20H27NO2 — CID 26202952

IUPACN-(1-adamantylmethyl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27NO2/c22-19(6-7-23-18-4-2-1-3-5-18)21-14-20-11-15-8-16(12-20)10-17(9-15)13-20/h1-5,15-17H,6-14H2,(H,21,22)
InChIKeyWESQKEDDJNEBAB-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.79
Rot. Bonds6

About N-(1-adamantylmethyl)-3-phenoxypropanamide

N-(1-adamantylmethyl)-3-phenoxypropanamide (PubChem CID 26202952) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-phenoxypropanamide
PubChem CID26202952
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-(1-adamantylmethyl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27NO2/c22-19(6-7-23-18-4-2-1-3-5-18)21-14-20-11-15-8-16(12-20)10-17(9-15)13-20/h1-5,15-17H,6-14H2,(H,21,22)
InChIKeyWESQKEDDJNEBAB-UHFFFAOYSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantylmethyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 9259453
N-[2-(3-phenoxypropanoylamino)ethyl]adamantane-1-carboxamide
CID 108542343
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
CID 110292567
N-[2-(1-adamantyl)ethyl]-2-phenoxyacetamide
CID 2921835
[2-(1-adamantylmethylamino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833521
[2-(1-adamantylmethylamino)-2-oxoethyl] 4-phenoxybenzoate
CID 7859627
2-[2-[2-[4-(1-adamantylmethylamino)-4-oxobutanoyl]oxyethoxy]ethoxy]ethyl 4-(1-adamantylmethylamino)-4-oxobutanoate
CID 123176729
(2R)-N-(1-adamantylmethyl)-2-phenoxybutanamide
CID 8923558
1-[4-[2-(1-adamantyl)acetyl]-1,4-diazepan-1-yl]-4-phenoxybutan-1-one
CID 108545354
N-(1-adamantylmethyl)-2-(4-nitrophenoxy)acetamide
CID 7502123
3-phenoxy-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
CID 56787210
N-(1-adamantylmethyl)-4-hydroxybutanamide
CID 79205151

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-phenoxypropanamide?
The IUPAC name of N-(1-adamantylmethyl)-3-phenoxypropanamide (CID 26202952) is N-(1-adamantylmethyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-phenoxypropanamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-phenoxypropanamide is O=C(CCOc1ccccc1)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-3-phenoxypropanamide?
The InChIKey is WESQKEDDJNEBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c22-19(6-7-23-18-4-2-1-3-5-18)21-14-20-11-15-8-16(12-20)10-17(9-15)13-20/h1-5,15-17H,6-14H2,(H,21,22).
What are the key properties of N-(1-adamantylmethyl)-3-phenoxypropanamide?
N-(1-adamantylmethyl)-3-phenoxypropanamide has a molecular weight of 313.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-phenoxypropanamide is sourced from PubChem (CID 26202952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).