methyl 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]propanoate

C14H19ClN2O3 — CID 62011489

IUPACmethyl 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C14H19ClN2O3/c1-17(8-7-14(19)20-2)10-13(18)16-9-11-5-3-4-6-12(11)15/h3-6H,7-10H2,1-2H3,(H,16,18)
InChIKeyGUTYQKBMAYDYSC-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.45
Rot. Bonds7

About methyl 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]propanoate

methyl 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]propanoate (PubChem CID 62011489) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is methyl 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]propanoate
PubChem CID62011489
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Namemethyl 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C14H19ClN2O3/c1-17(8-7-14(19)20-2)10-13(18)16-9-11-5-3-4-6-12(11)15/h3-6H,7-10H2,1-2H3,(H,16,18)
InChIKeyGUTYQKBMAYDYSC-UHFFFAOYSA-N
XLogP1.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-methylamino]propanoic acid
CID 119912081
N-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287193
N-[(2-chlorophenyl)methyl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 9333391
2-[acetyl(3-methoxypropyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113160021
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62820582
methyl 3-[[3-(2-chloroanilino)-3-oxopropyl]-methylamino]propanoate
CID 62012452
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
methyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate
CID 62012884
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113164509
ethyl 3-[(2-chlorophenyl)methylamino]-3-oxopropanoate
CID 23404876
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
N'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide
CID 108944155

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]propanoate?
The IUPAC name of methyl 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]propanoate (CID 62011489) is methyl 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]propanoate?
The canonical SMILES for methyl 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]propanoate is COC(=O)CCN(C)CC(=O)NCc1ccccc1Cl.
What is the InChIKey of methyl 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]propanoate?
The InChIKey is GUTYQKBMAYDYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-17(8-7-14(19)20-2)10-13(18)16-9-11-5-3-4-6-12(11)15/h3-6H,7-10H2,1-2H3,(H,16,18).
What are the key properties of methyl 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]propanoate?
methyl 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]propanoate has a molecular weight of 298.77 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]propanoate is sourced from PubChem (CID 62011489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).