N-(1-adamantylmethyl)-3-(4-methoxyphenoxy)propanamide

C21H29NO3 — CID 2953548

IUPACN-(1-adamantylmethyl)-3-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H29NO3/c1-24-18-2-4-19(5-3-18)25-7-6-20(23)22-14-21-11-15-8-16(12-21)10-17(9-15)13-21/h2-5,15-17H,6-14H2,1H3,(H,22,23)
InChIKeyAKBKORLAHJVRDK-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.80
Rot. Bonds7

About N-(1-adamantylmethyl)-3-(4-methoxyphenoxy)propanamide

N-(1-adamantylmethyl)-3-(4-methoxyphenoxy)propanamide (PubChem CID 2953548) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-(4-methoxyphenoxy)propanamide
PubChem CID2953548
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC NameN-(1-adamantylmethyl)-3-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H29NO3/c1-24-18-2-4-19(5-3-18)25-7-6-20(23)22-14-21-11-15-8-16(12-21)10-17(9-15)13-21/h2-5,15-17H,6-14H2,1H3,(H,22,23)
InChIKeyAKBKORLAHJVRDK-UHFFFAOYSA-N
XLogP3.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-(1-adamantylmethyl)-3-(4-methoxyphenoxy)propanamide (CID 2953548) is N-(1-adamantylmethyl)-3-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-(4-methoxyphenoxy)propanamide is COc1ccc(OCCC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(1-adamantylmethyl)-3-(4-methoxyphenoxy)propanamide?
The InChIKey is AKBKORLAHJVRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-24-18-2-4-19(5-3-18)25-7-6-20(23)22-14-21-11-15-8-16(12-21)10-17(9-15)13-21/h2-5,15-17H,6-14H2,1H3,(H,22,23).
What are the key properties of N-(1-adamantylmethyl)-3-(4-methoxyphenoxy)propanamide?
N-(1-adamantylmethyl)-3-(4-methoxyphenoxy)propanamide has a molecular weight of 343.47 g/mol, XLogP of 3.80, 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-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 2953548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).