2-[(2-propan-2-yloxyphenyl)methylamino]propanamide

C13H20N2O2 — CID 43232563

IUPAC2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
SMILESCC(C)Oc1ccccc1CNC(C)C(N)=O
InChIInChI=1S/C13H20N2O2/c1-9(2)17-12-7-5-4-6-11(12)8-15-10(3)13(14)16/h4-7,9-10,15H,8H2,1-3H3,(H2,14,16)
InChIKeyJSQJKGGGRZLFKO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.44
Rot. Bonds6

About 2-[(2-propan-2-yloxyphenyl)methylamino]propanamide

2-[(2-propan-2-yloxyphenyl)methylamino]propanamide (PubChem CID 43232563) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[(2-propan-2-yloxyphenyl)methylamino]propanamide.

Molecular Properties

Compound Name2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
PubChem CID43232563
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
SMILESCC(C)Oc1ccccc1CNC(C)C(N)=O
InChIInChI=1S/C13H20N2O2/c1-9(2)17-12-7-5-4-6-11(12)8-15-10(3)13(14)16/h4-7,9-10,15H,8H2,1-3H3,(H2,14,16)
InChIKeyJSQJKGGGRZLFKO-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]propanoate
CID 43786699
2-[(2-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 54959628
N,N-dimethyl-2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43778094
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590
(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 83294447
(2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 79254170
3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 55259412
2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119225488
N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 125144882
methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate
CID 43723616
2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride
CID 53351262
2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide
CID 43402355

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-yloxyphenyl)methylamino]propanamide?
The IUPAC name of 2-[(2-propan-2-yloxyphenyl)methylamino]propanamide (CID 43232563) is 2-[(2-propan-2-yloxyphenyl)methylamino]propanamide.
What is the SMILES notation for 2-[(2-propan-2-yloxyphenyl)methylamino]propanamide?
The canonical SMILES for 2-[(2-propan-2-yloxyphenyl)methylamino]propanamide is CC(C)Oc1ccccc1CNC(C)C(N)=O.
What is the InChIKey of 2-[(2-propan-2-yloxyphenyl)methylamino]propanamide?
The InChIKey is JSQJKGGGRZLFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)17-12-7-5-4-6-11(12)8-15-10(3)13(14)16/h4-7,9-10,15H,8H2,1-3H3,(H2,14,16).
What are the key properties of 2-[(2-propan-2-yloxyphenyl)methylamino]propanamide?
2-[(2-propan-2-yloxyphenyl)methylamino]propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-yloxyphenyl)methylamino]propanamide is sourced from PubChem (CID 43232563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).