methyl 3-[(3-methoxy-3-oxopropyl)-(1-naphthalen-2-ylethyl)amino]propanoate

C20H25NO4 — CID 22348138

IUPACmethyl 3-[(3-methoxy-3-oxopropyl)-(1-naphthalen-2-ylethyl)amino]propanoate
SMILESCOC(=O)CCN(CCC(=O)OC)C(C)c1ccc2ccccc2c1
InChIInChI=1S/C20H25NO4/c1-15(17-9-8-16-6-4-5-7-18(16)14-17)21(12-10-19(22)24-2)13-11-20(23)25-3/h4-9,14-15H,10-13H2,1-3H3
InChIKeyBWPNOMLYMJYRJD-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.33
Rot. Bonds8

About methyl 3-[(3-methoxy-3-oxopropyl)-(1-naphthalen-2-ylethyl)amino]propanoate

methyl 3-[(3-methoxy-3-oxopropyl)-(1-naphthalen-2-ylethyl)amino]propanoate (PubChem CID 22348138) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is methyl 3-[(3-methoxy-3-oxopropyl)-(1-naphthalen-2-ylethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-methoxy-3-oxopropyl)-(1-naphthalen-2-ylethyl)amino]propanoate
PubChem CID22348138
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Namemethyl 3-[(3-methoxy-3-oxopropyl)-(1-naphthalen-2-ylethyl)amino]propanoate
SMILESCOC(=O)CCN(CCC(=O)OC)C(C)c1ccc2ccccc2c1
InChIInChI=1S/C20H25NO4/c1-15(17-9-8-16-6-4-5-7-18(16)14-17)21(12-10-19(22)24-2)13-11-20(23)25-3/h4-9,14-15H,10-13H2,1-3H3
InChIKeyBWPNOMLYMJYRJD-UHFFFAOYSA-N
XLogP3.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-naphthalen-2-ylethyl(propan-2-yl)amino]propanoic acid
CID 65057412
methyl 3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361476
methyl (3R)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361475
methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate
CID 29059560
methyl 5-[hydroxy-[methoxy(naphthalen-2-yl)methyl]amino]-5-oxopentanoate
CID 19877584
methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate
CID 61031185
methyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate
CID 61030402
1-naphthalen-2-ylethyl pentanoate
CID 46886522
3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid
CID 119362623
dimethyl 2-[(1R)-1-naphthalen-2-ylethyl]propanedioate
CID 101238561
N-methyl-N-(1-naphthalen-2-ylethyl)hydroxylamine
CID 134925805
ethyl 2-(1-naphthalen-2-ylethylamino)acetate
CID 60680493

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methoxy-3-oxopropyl)-(1-naphthalen-2-ylethyl)amino]propanoate?
The IUPAC name of methyl 3-[(3-methoxy-3-oxopropyl)-(1-naphthalen-2-ylethyl)amino]propanoate (CID 22348138) is methyl 3-[(3-methoxy-3-oxopropyl)-(1-naphthalen-2-ylethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(3-methoxy-3-oxopropyl)-(1-naphthalen-2-ylethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(3-methoxy-3-oxopropyl)-(1-naphthalen-2-ylethyl)amino]propanoate is COC(=O)CCN(CCC(=O)OC)C(C)c1ccc2ccccc2c1.
What is the InChIKey of methyl 3-[(3-methoxy-3-oxopropyl)-(1-naphthalen-2-ylethyl)amino]propanoate?
The InChIKey is BWPNOMLYMJYRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-15(17-9-8-16-6-4-5-7-18(16)14-17)21(12-10-19(22)24-2)13-11-20(23)25-3/h4-9,14-15H,10-13H2,1-3H3.
What are the key properties of methyl 3-[(3-methoxy-3-oxopropyl)-(1-naphthalen-2-ylethyl)amino]propanoate?
methyl 3-[(3-methoxy-3-oxopropyl)-(1-naphthalen-2-ylethyl)amino]propanoate has a molecular weight of 343.42 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methoxy-3-oxopropyl)-(1-naphthalen-2-ylethyl)amino]propanoate is sourced from PubChem (CID 22348138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).