3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide

C13H20N2O2 — CID 119306277

IUPAC3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
SMILESCC(C)OCc1cccc(NC(=O)CCN)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)17-9-11-4-3-5-12(8-11)15-13(16)6-7-14/h3-5,8,10H,6-7,9,14H2,1-2H3,(H,15,16)
InChIKeyIATPIJOVFJYQAJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.90
Rot. Bonds6

About 3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide

3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide (PubChem CID 119306277) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
PubChem CID119306277
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
SMILESCC(C)OCc1cccc(NC(=O)CCN)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)17-9-11-4-3-5-12(8-11)15-13(16)6-7-14/h3-5,8,10H,6-7,9,14H2,1-2H3,(H,15,16)
InChIKeyIATPIJOVFJYQAJ-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]propanamide;hydrochloride
CID 120609902
(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306295
4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497
2-(2,4-dichlorophenyl)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide
CID 52760083
2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide
CID 119753959
2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 120987551
2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119753968
2-amino-2-phenyl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119306292
2-[2-oxo-2-[3-(propan-2-yloxymethyl)anilino]ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108696
4-amino-N-(3-propan-2-yloxyphenyl)butanamide
CID 92930679
5-amino-2-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
CID 120626212
3-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]butanamide
CID 119754191

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide?
The IUPAC name of 3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide (CID 119306277) is 3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide?
The canonical SMILES for 3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide is CC(C)OCc1cccc(NC(=O)CCN)c1.
What is the InChIKey of 3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide?
The InChIKey is IATPIJOVFJYQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)17-9-11-4-3-5-12(8-11)15-13(16)6-7-14/h3-5,8,10H,6-7,9,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide?
3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide is sourced from PubChem (CID 119306277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).