2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-carbamoylacetamide

C12H17N3O3 — CID 63650860

IUPAC2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-carbamoylacetamide
SMILESCc1ccc([C@@H](C)N)c(OCC(=O)NC(N)=O)c1
InChIInChI=1S/C12H17N3O3/c1-7-3-4-9(8(2)13)10(5-7)18-6-11(16)15-12(14)17/h3-5,8H,6,13H2,1-2H3,(H3,14,15,16,17)/t8-/m1/s1
InChIKeyPUYCEMBELBCSJU-MRVPVSSYSA-N
MW251.29 g/mol
LogP0.59
Rot. Bonds4

About 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-carbamoylacetamide

2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-carbamoylacetamide (PubChem CID 63650860) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-carbamoylacetamide
PubChem CID63650860
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-carbamoylacetamide
SMILESCc1ccc([C@@H](C)N)c(OCC(=O)NC(N)=O)c1
InChIInChI=1S/C12H17N3O3/c1-7-3-4-9(8(2)13)10(5-7)18-6-11(16)15-12(14)17/h3-5,8H,6,13H2,1-2H3,(H3,14,15,16,17)/t8-/m1/s1
InChIKeyPUYCEMBELBCSJU-MRVPVSSYSA-N
XLogP0.59
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide
CID 78946963
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(2-methylpropyl)acetamide
CID 78947098
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 78947410
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-pentan-3-ylacetamide
CID 63649947
2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63639918
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-(2-cyanoethyl)acetamide
CID 78946994
2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide
CID 63639424
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide
CID 61486605
N-carbamoyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63064124
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide
CID 30114776

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-carbamoylacetamide?
The IUPAC name of 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-carbamoylacetamide (CID 63650860) is 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-carbamoylacetamide.
What is the SMILES notation for 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-carbamoylacetamide?
The canonical SMILES for 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-carbamoylacetamide is Cc1ccc([C@@H](C)N)c(OCC(=O)NC(N)=O)c1.
What is the InChIKey of 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-carbamoylacetamide?
The InChIKey is PUYCEMBELBCSJU-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-3-4-9(8(2)13)10(5-7)18-6-11(16)15-12(14)17/h3-5,8H,6,13H2,1-2H3,(H3,14,15,16,17)/t8-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-carbamoylacetamide?
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-carbamoylacetamide has a molecular weight of 251.29 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-carbamoylacetamide is sourced from PubChem (CID 63650860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).