2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid

C15H22N2O4 — CID 65264125

IUPAC2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCOc1ccc(CCNC(=O)CNC(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H22N2O4/c1-15(2,14(19)20)17-10-13(18)16-9-8-11-4-6-12(21-3)7-5-11/h4-7,17H,8-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyGKHAXLCLZYMWIL-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.81
Rot. Bonds8

About 2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid

2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid (PubChem CID 65264125) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
PubChem CID65264125
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCOc1ccc(CCNC(=O)CNC(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H22N2O4/c1-15(2,14(19)20)17-10-13(18)16-9-8-11-4-6-12(21-3)7-5-11/h4-7,17H,8-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyGKHAXLCLZYMWIL-UHFFFAOYSA-N
XLogP0.81
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]propanoic acid
CID 65263855
2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 109001296
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
CID 45347528
N-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide
CID 42158481
N-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109001307
2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide
CID 28574182
2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255722
N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylhexanamide
CID 166921561
N-[2-(4-methoxyphenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112993636
N-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide
CID 11259109
4-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]benzoic acid
CID 79256871

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid (CID 65264125) is 2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid is COc1ccc(CCNC(=O)CNC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid?
The InChIKey is GKHAXLCLZYMWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,14(19)20)17-10-13(18)16-9-8-11-4-6-12(21-3)7-5-11/h4-7,17H,8-10H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid?
2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid has a molecular weight of 294.35 g/mol, XLogP of 0.81, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 65264125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).