2-(1-adamantyl)-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]acetamide

C25H36N2O3 — CID 108539727

IUPAC2-(1-adamantyl)-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]acetamide
SMILESCCCc1ccc(OCC(=O)NCCNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C25H36N2O3/c1-2-3-18-4-6-22(7-5-18)30-17-24(29)27-9-8-26-23(28)16-25-13-19-10-20(14-25)12-21(11-19)15-25/h4-7,19-21H,2-3,8-17H2,1H3,(H,26,28)(H,27,29)
InChIKeyONUBZKDJXJYVBN-UHFFFAOYSA-N
MW412.57 g/mol
LogP3.86
Rot. Bonds10

About 2-(1-adamantyl)-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]acetamide

2-(1-adamantyl)-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]acetamide (PubChem CID 108539727) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]acetamide
PubChem CID108539727
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC Name2-(1-adamantyl)-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]acetamide
SMILESCCCc1ccc(OCC(=O)NCCNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C25H36N2O3/c1-2-3-18-4-6-22(7-5-18)30-17-24(29)27-9-8-26-23(28)16-25-13-19-10-20(14-25)12-21(11-19)15-25/h4-7,19-21H,2-3,8-17H2,1H3,(H,26,28)(H,27,29)
InChIKeyONUBZKDJXJYVBN-UHFFFAOYSA-N
XLogP3.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide
CID 9475144
2-(1-adamantyl)-N-[2-(4-fluorophenoxy)ethyl]acetamide
CID 17381712
N-[2-(1-adamantyl)ethyl]-2-phenoxyacetamide
CID 2921835
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]adamantane-1-carboxamide
CID 32937893
2-(1-adamantyl)-N'-[2-(4-cyanophenoxy)acetyl]acetohydrazide
CID 7917946
2-(1-adamantyl)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]acetamide
CID 27646790
N-(1-adamantylmethyl)-2-(4-nitrophenoxy)acetamide
CID 7502123
3-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide
CID 108539217
methyl 2-(4-propylphenoxy)acetate
CID 19911850
2-(4-aminophenoxy)-N-(4-propylphenyl)acetamide
CID 61027141
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108539714
2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide
CID 43279784

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]acetamide (CID 108539727) is 2-(1-adamantyl)-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]acetamide is CCCc1ccc(OCC(=O)NCCNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]acetamide?
The InChIKey is ONUBZKDJXJYVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O3/c1-2-3-18-4-6-22(7-5-18)30-17-24(29)27-9-8-26-23(28)16-25-13-19-10-20(14-25)12-21(11-19)15-25/h4-7,19-21H,2-3,8-17H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-(1-adamantyl)-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]acetamide?
2-(1-adamantyl)-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]acetamide has a molecular weight of 412.57 g/mol, XLogP of 3.86, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]acetamide is sourced from PubChem (CID 108539727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).