2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide

C18H28N2O2 — CID 120784146

IUPAC2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide
SMILESCCCCCc1ccc(NC(=O)C(N)C2CCOCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-2-3-4-5-14-6-8-16(9-7-14)20-18(21)17(19)15-10-12-22-13-11-15/h6-9,15,17H,2-5,10-13,19H2,1H3,(H,20,21)
InChIKeyCGERUEZNDCZQPC-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.11
Rot. Bonds7

About 2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide

2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide (PubChem CID 120784146) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide
PubChem CID120784146
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide
SMILESCCCCCc1ccc(NC(=O)C(N)C2CCOCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-2-3-4-5-14-6-8-16(9-7-14)20-18(21)17(19)15-10-12-22-13-11-15/h6-9,15,17H,2-5,10-13,19H2,1H3,(H,20,21)
InChIKeyCGERUEZNDCZQPC-UHFFFAOYSA-N
XLogP3.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.11
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

N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide
CID 120792716
2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798857
2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 120798942
2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide
CID 120800496
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride
CID 120788869
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 120785588
2-amino-2-(oxan-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 120787166
2-amino-N-[4-(4-ethoxyphenoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 120783556
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 120785656
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 120785655
2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783163
(3S)-2-amino-3-hydroxy-N-(4-octylphenyl)butanamide
CID 70668692

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide (CID 120784146) is 2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide is CCCCCc1ccc(NC(=O)C(N)C2CCOCC2)cc1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide?
The InChIKey is CGERUEZNDCZQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-3-4-5-14-6-8-16(9-7-14)20-18(21)17(19)15-10-12-22-13-11-15/h6-9,15,17H,2-5,10-13,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide?
2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide has a molecular weight of 304.43 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide is sourced from PubChem (CID 120784146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).