3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide

C14H20N2O2 — CID 113290580

IUPAC3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
SMILESCC1(CNC(=O)CCc2ccc(N)cc2)COC1
InChIInChI=1S/C14H20N2O2/c1-14(9-18-10-14)8-16-13(17)7-4-11-2-5-12(15)6-3-11/h2-3,5-6H,4,7-10,15H2,1H3,(H,16,17)
InChIKeyCQQAHSDFLZCFBG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.35
Rot. Bonds5

About 3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide

3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide (PubChem CID 113290580) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
PubChem CID113290580
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
SMILESCC1(CNC(=O)CCc2ccc(N)cc2)COC1
InChIInChI=1S/C14H20N2O2/c1-14(9-18-10-14)8-16-13(17)7-4-11-2-5-12(15)6-3-11/h2-3,5-6H,4,7-10,15H2,1H3,(H,16,17)
InChIKeyCQQAHSDFLZCFBG-UHFFFAOYSA-N
XLogP1.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 77089318
3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]propanamide
CID 114107058
2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78957558
2-(4-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956667
1-[[3-(4-aminophenyl)propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445924
2-(4-aminophenyl)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 80556105
3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106099130
2-[1-[[3-(4-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 115341622
2-(4-aminophenyl)-N-[(1-methylcyclopentyl)methyl]acetamide;hydrochloride
CID 119780541
3-(4-aminophenyl)-N-(1-methylcyclobutyl)propanamide
CID 113485218
3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide
CID 43309173
N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide
CID 43553907

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide (CID 113290580) is 3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide is CC1(CNC(=O)CCc2ccc(N)cc2)COC1.
What is the InChIKey of 3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide?
The InChIKey is CQQAHSDFLZCFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(9-18-10-14)8-16-13(17)7-4-11-2-5-12(15)6-3-11/h2-3,5-6H,4,7-10,15H2,1H3,(H,16,17).
What are the key properties of 3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide?
3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide is sourced from PubChem (CID 113290580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).