2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide

C12H17N3O4 — CID 30114776

IUPAC2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide
SMILESCOc1cc([C@H](C)N)ccc1OCC(=O)NC(N)=O
InChIInChI=1S/C12H17N3O4/c1-7(13)8-3-4-9(10(5-8)18-2)19-6-11(16)15-12(14)17/h3-5,7H,6,13H2,1-2H3,(H3,14,15,16,17)/t7-/m0/s1
InChIKeyXKOFWQWTTXEJLU-ZETCQYMHSA-N
MW267.29 g/mol
LogP0.29
Rot. Bonds5

About 2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide

2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide (PubChem CID 30114776) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide
PubChem CID30114776
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide
SMILESCOc1cc([C@H](C)N)ccc1OCC(=O)NC(N)=O
InChIInChI=1S/C12H17N3O4/c1-7(13)8-3-4-9(10(5-8)18-2)19-6-11(16)15-12(14)17/h3-5,7H,6,13H2,1-2H3,(H3,14,15,16,17)/t7-/m0/s1
InChIKeyXKOFWQWTTXEJLU-ZETCQYMHSA-N
XLogP0.29
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 30120639
2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide
CID 16783572
2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide
CID 61486644
2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
CID 63366894
N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 24694058
3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 78936627
N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 2492394
1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60880342
(1S)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanamine
CID 78936706
3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79629501
1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60879775
N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide
CID 43278640

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide?
The IUPAC name of 2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide (CID 30114776) is 2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide.
What is the SMILES notation for 2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide?
The canonical SMILES for 2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide is COc1cc([C@H](C)N)ccc1OCC(=O)NC(N)=O.
What is the InChIKey of 2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide?
The InChIKey is XKOFWQWTTXEJLU-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7(13)8-3-4-9(10(5-8)18-2)19-6-11(16)15-12(14)17/h3-5,7H,6,13H2,1-2H3,(H3,14,15,16,17)/t7-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide?
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide has a molecular weight of 267.29 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide is sourced from PubChem (CID 30114776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).