2-amino-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]acetamide

C13H19N3O3 — CID 81387632

IUPAC2-amino-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]acetamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)CNC(=O)CN
InChIInChI=1S/C13H19N3O3/c1-9(10-5-3-4-6-11(10)19-2)16-13(18)8-15-12(17)7-14/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)(H,16,18)/t9-/m1/s1
InChIKeyGRVPDFIKKJZJKV-SECBINFHSA-N
MW265.31 g/mol
LogP-0.05
Rot. Bonds6

About 2-amino-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]acetamide

2-amino-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]acetamide (PubChem CID 81387632) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]acetamide
PubChem CID81387632
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-amino-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]acetamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)CNC(=O)CN
InChIInChI=1S/C13H19N3O3/c1-9(10-5-3-4-6-11(10)19-2)16-13(18)8-15-12(17)7-14/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)(H,16,18)/t9-/m1/s1
InChIKeyGRVPDFIKKJZJKV-SECBINFHSA-N
XLogP-0.05
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]acetamide (CID 81387632) is 2-amino-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]acetamide is COc1ccccc1[C@@H](C)NC(=O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]acetamide?
The InChIKey is GRVPDFIKKJZJKV-SECBINFHSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(10-5-3-4-6-11(10)19-2)16-13(18)8-15-12(17)7-14/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)(H,16,18)/t9-/m1/s1.
What are the key properties of 2-amino-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]acetamide?
2-amino-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]acetamide has a molecular weight of 265.31 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 81387632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).