(2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide

C13H20N2O2 — CID 119298172

IUPAC(2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide
SMILESCCC(C)Oc1ccc(NC(=O)[C@H](C)N)cc1
InChIInChI=1S/C13H20N2O2/c1-4-9(2)17-12-7-5-11(6-8-12)15-13(16)10(3)14/h5-10H,4,14H2,1-3H3,(H,15,16)/t9?,10-/m0/s1
InChIKeyCEXZYAPVSZXWOX-AXDSSHIGSA-N
MW236.31 g/mol
LogP2.15
Rot. Bonds5

About (2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide

(2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide (PubChem CID 119298172) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide
PubChem CID119298172
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide
SMILESCCC(C)Oc1ccc(NC(=O)[C@H](C)N)cc1
InChIInChI=1S/C13H20N2O2/c1-4-9(2)17-12-7-5-11(6-8-12)15-13(16)10(3)14/h5-10H,4,14H2,1-3H3,(H,15,16)/t9?,10-/m0/s1
InChIKeyCEXZYAPVSZXWOX-AXDSSHIGSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081
(2S)-2-amino-N-(4-butan-2-yloxyphenyl)-3-phenylpropanamide;hydrochloride
CID 119298178
N-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 17160633
2-amino-N-(4-propoxyphenyl)propanamide
CID 62327124
2-amino-N-(4-propylphenyl)propanamide
CID 43378686
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544
N-(4-butan-2-yloxyphenyl)-2-(2-methylphenyl)acetamide
CID 43877407
7-amino-N-(4-butan-2-yloxyphenyl)heptanamide
CID 119739480
4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide
CID 17141313
(4-butan-2-yloxyphenyl)hydrazine
CID 83814217
5-(4-butan-2-yloxyanilino)-5-oxopentanoic acid
CID 17160602
(2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 119296177

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide (CID 119298172) is (2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide is CCC(C)Oc1ccc(NC(=O)[C@H](C)N)cc1.
What is the InChIKey of (2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide?
The InChIKey is CEXZYAPVSZXWOX-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-9(2)17-12-7-5-11(6-8-12)15-13(16)10(3)14/h5-10H,4,14H2,1-3H3,(H,15,16)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide?
(2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide has a molecular weight of 236.31 g/mol, XLogP of 2.15, 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-(4-butan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 119298172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).