3-[[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid

C15H20Cl2N2O3 — CID 122120110

IUPAC3-[[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)CC(=O)NC(C)c1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C15H20Cl2N2O3/c1-9(15(21)22)7-19(3)8-14(20)18-10(2)12-5-4-11(16)6-13(12)17/h4-6,9-10H,7-8H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyOUGCUWCMTZDRFS-UHFFFAOYSA-N
MW347.24 g/mol
LogP2.82
Rot. Bonds7

About 3-[[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid

3-[[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid (PubChem CID 122120110) has the molecular formula C15H20Cl2N2O3 and a molecular weight of 347.24 g/mol. Its IUPAC name is 3-[[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
PubChem CID122120110
Molecular FormulaC15H20Cl2N2O3
Molecular Weight347.24 g/mol
Exact Mass346.09
IUPAC Name3-[[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)CC(=O)NC(C)c1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C15H20Cl2N2O3/c1-9(15(21)22)7-19(3)8-14(20)18-10(2)12-5-4-11(16)6-13(12)17/h4-6,9-10H,7-8H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyOUGCUWCMTZDRFS-UHFFFAOYSA-N
XLogP2.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(N-methylanilino)acetamide
CID 8689218
2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 42956358
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
3-[[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 122120208
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102518
2-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287612
N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide
CID 97088982
N'-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-[(1R)-1-phenylethyl]butanediamide
CID 97088981
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 9441522
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897863
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 75981550
3-[(2,5-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65316606

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid (CID 122120110) is 3-[[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid is CC(CN(C)CC(=O)NC(C)c1ccc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of 3-[[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is OUGCUWCMTZDRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3/c1-9(15(21)22)7-19(3)8-14(20)18-10(2)12-5-4-11(16)6-13(12)17/h4-6,9-10H,7-8H2,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 3-[[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
3-[[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 347.24 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 122120110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).