methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate

C17H19NO3 — CID 61031185

IUPACmethyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H19NO3/c1-18(10-9-17(20)21-2)16(19)12-13-7-8-14-5-3-4-6-15(14)11-13/h3-8,11H,9-10,12H2,1-2H3
InChIKeyUXDRNTBIUNUHPN-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.40
Rot. Bonds5

About methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate

methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate (PubChem CID 61031185) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate
PubChem CID61031185
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H19NO3/c1-18(10-9-17(20)21-2)16(19)12-13-7-8-14-5-3-4-6-15(14)11-13/h3-8,11H,9-10,12H2,1-2H3
InChIKeyUXDRNTBIUNUHPN-UHFFFAOYSA-N
XLogP2.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 55149469
N-(2-bromoethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 80658951
methyl 3-[[2-(4-acetamidophenyl)acetyl]-methylamino]propanoate
CID 61030942
methyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate
CID 54997473
2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
CID 18071237
methyl 3-[methyl-(2-pyridin-3-ylacetyl)amino]propanoate
CID 62691426
methyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate
CID 61030402
methyl 2-[methyl(2-naphthalen-2-ylethyl)amino]acetate
CID 115233197
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 63929126
iodo 2-naphthalen-2-ylacetate
CID 129274840
N-[(2-bromophenyl)methyl]-N-methyl-2-naphthalen-2-ylacetamide
CID 34866908
methyl 3-[(3-methoxy-3-oxopropyl)-(1-naphthalen-2-ylethyl)amino]propanoate
CID 22348138

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate (CID 61031185) is methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate is COC(=O)CCN(C)C(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate?
The InChIKey is UXDRNTBIUNUHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-18(10-9-17(20)21-2)16(19)12-13-7-8-14-5-3-4-6-15(14)11-13/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate?
methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate has a molecular weight of 285.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate is sourced from PubChem (CID 61031185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).