2-amino-3-(4-propan-2-ylphenyl)propanamide

C12H18N2O — CID 64990650

IUPAC2-amino-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(CC(N)C(N)=O)cc1
InChIInChI=1S/C12H18N2O/c1-8(2)10-5-3-9(4-6-10)7-11(13)12(14)15/h3-6,8,11H,7,13H2,1-2H3,(H2,14,15)
InChIKeyPANHYHZMPLWGPP-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.17
Rot. Bonds4

About 2-amino-3-(4-propan-2-ylphenyl)propanamide

2-amino-3-(4-propan-2-ylphenyl)propanamide (PubChem CID 64990650) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-amino-3-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-propan-2-ylphenyl)propanamide
PubChem CID64990650
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-amino-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(CC(N)C(N)=O)cc1
InChIInChI=1S/C12H18N2O/c1-8(2)10-5-3-9(4-6-10)7-11(13)12(14)15/h3-6,8,11H,7,13H2,1-2H3,(H2,14,15)
InChIKeyPANHYHZMPLWGPP-UHFFFAOYSA-N
XLogP1.17
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(4-butan-2-ylphenyl)propanamide
CID 116850831
2-amino-3-(4-methylphenyl)propanamide
CID 18981163
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
(2S)-2-[(4-propan-2-ylphenyl)methyl]pent-4-enamide
CID 125467117
2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide
CID 174991066
[amino-[4-[(2R)-2,3-diamino-3-oxopropyl]phenyl]methylidene]azanium
CID 16740996
3-amino-4-methyl-5-(4-propan-2-ylphenyl)pentanoic acid
CID 53417419
(2S)-2-methyl-3-(4-propan-2-ylphenyl)propanoate
CID 6956821
bis(2-amino-3-(4-hydroxyphenyl)propanamide);2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 67902185
(2S)-2-amino-3-(4-trimethylsilyloxyphenyl)propanamide
CID 167723544
(2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 39241972
(2R)-2-(aminomethyl)-3-(4-propan-2-ylphenyl)propanoic acid
CID 42329583

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-amino-3-(4-propan-2-ylphenyl)propanamide (CID 64990650) is 2-amino-3-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-amino-3-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-amino-3-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(CC(N)C(N)=O)cc1.
What is the InChIKey of 2-amino-3-(4-propan-2-ylphenyl)propanamide?
The InChIKey is PANHYHZMPLWGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)10-5-3-9(4-6-10)7-11(13)12(14)15/h3-6,8,11H,7,13H2,1-2H3,(H2,14,15).
What are the key properties of 2-amino-3-(4-propan-2-ylphenyl)propanamide?
2-amino-3-(4-propan-2-ylphenyl)propanamide has a molecular weight of 206.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 64990650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).