(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide

C13H20N2O2 — CID 83294447

IUPAC(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
SMILESCC(C)Oc1ccccc1CNC(=O)[C@H](C)N
InChIInChI=1S/C13H20N2O2/c1-9(2)17-12-7-5-4-6-11(12)8-15-13(16)10(3)14/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyDHJRLQLGPWEKKT-JTQLQIEISA-N
MW236.31 g/mol
LogP1.44
Rot. Bonds5

About (2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide

(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide (PubChem CID 83294447) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
PubChem CID83294447
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
SMILESCC(C)Oc1ccccc1CNC(=O)[C@H](C)N
InChIInChI=1S/C13H20N2O2/c1-9(2)17-12-7-5-4-6-11(12)8-15-13(16)10(3)14/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyDHJRLQLGPWEKKT-JTQLQIEISA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 125144882
(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644
2-[(2-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 54959628
2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43232563
methyl (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]propanoate
CID 43786699
2-[2-[(2-aminopropanoylamino)methyl]phenyl]acetic acid
CID 81318490
2-[ethyl(methyl)amino]-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]acetamide
CID 56521548
(2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide
CID 119848384
2-amino-N-[(2-iodophenyl)methyl]propanamide
CID 77144463
N-[(4-fluorophenyl)methyl]-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 124505025
2-(2-chlorophenyl)sulfanyl-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 55908762
2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119225488

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide (CID 83294447) is (2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide is CC(C)Oc1ccccc1CNC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide?
The InChIKey is DHJRLQLGPWEKKT-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)17-12-7-5-4-6-11(12)8-15-13(16)10(3)14/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide?
(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 83294447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).