methyl 2-[7-[2-(methylamino)butan-2-yl]naphthalen-2-yl]acetate

C18H23NO2 — CID 70641553

IUPACmethyl 2-[7-[2-(methylamino)butan-2-yl]naphthalen-2-yl]acetate
SMILESCCC(C)(NC)c1ccc2ccc(CC(=O)OC)cc2c1
InChIInChI=1S/C18H23NO2/c1-5-18(2,19-3)16-9-8-14-7-6-13(10-15(14)12-16)11-17(20)21-4/h6-10,12,19H,5,11H2,1-4H3
InChIKeyUEALNRULOHDQFM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.40
Rot. Bonds5

About methyl 2-[7-[2-(methylamino)butan-2-yl]naphthalen-2-yl]acetate

methyl 2-[7-[2-(methylamino)butan-2-yl]naphthalen-2-yl]acetate (PubChem CID 70641553) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is methyl 2-[7-[2-(methylamino)butan-2-yl]naphthalen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[7-[2-(methylamino)butan-2-yl]naphthalen-2-yl]acetate
PubChem CID70641553
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Namemethyl 2-[7-[2-(methylamino)butan-2-yl]naphthalen-2-yl]acetate
SMILESCCC(C)(NC)c1ccc2ccc(CC(=O)OC)cc2c1
InChIInChI=1S/C18H23NO2/c1-5-18(2,19-3)16-9-8-14-7-6-13(10-15(14)12-16)11-17(20)21-4/h6-10,12,19H,5,11H2,1-4H3
InChIKeyUEALNRULOHDQFM-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-(1,1-difluoropropyl)phenyl]acetate
CID 116991957
methyl 5-(7-ethylanthracen-2-yl)-5-methylhexanoate
CID 56615123
methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356382
methyl 2-[3-fluoro-5-[4-(3-methylpentan-3-yl)phenyl]phenyl]acetate
CID 143365893
[2-fluoro-5-(2-methoxy-2-oxoethyl)phenyl]boronic acid
CID 130058671
methyl 2-[7-(methanimidoyloxyamino)naphthalen-2-yl]acetate
CID 118861516
methyl 2-[4-(1,1-difluorobutyl)phenyl]acetate
CID 116992177
methyl 2-(1H-indol-5-yl)acetate
CID 43831379
3-methylpentan-3-yl 2-(6-hydroxynaphthalen-2-yl)acetate
CID 143448476
ethane;methyl 2-[4-[4-(3-ethylpentan-3-yl)-2-methylphenyl]phenyl]acetate
CID 143366332
methyl 2-(4-amino-3-iodophenyl)acetate
CID 46941390
2-fluoro-4-(2-methoxy-2-oxoethyl)benzoic acid
CID 163291974

Frequently Asked Questions

What is the IUPAC name of methyl 2-[7-[2-(methylamino)butan-2-yl]naphthalen-2-yl]acetate?
The IUPAC name of methyl 2-[7-[2-(methylamino)butan-2-yl]naphthalen-2-yl]acetate (CID 70641553) is methyl 2-[7-[2-(methylamino)butan-2-yl]naphthalen-2-yl]acetate.
What is the SMILES notation for methyl 2-[7-[2-(methylamino)butan-2-yl]naphthalen-2-yl]acetate?
The canonical SMILES for methyl 2-[7-[2-(methylamino)butan-2-yl]naphthalen-2-yl]acetate is CCC(C)(NC)c1ccc2ccc(CC(=O)OC)cc2c1.
What is the InChIKey of methyl 2-[7-[2-(methylamino)butan-2-yl]naphthalen-2-yl]acetate?
The InChIKey is UEALNRULOHDQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-5-18(2,19-3)16-9-8-14-7-6-13(10-15(14)12-16)11-17(20)21-4/h6-10,12,19H,5,11H2,1-4H3.
What are the key properties of methyl 2-[7-[2-(methylamino)butan-2-yl]naphthalen-2-yl]acetate?
methyl 2-[7-[2-(methylamino)butan-2-yl]naphthalen-2-yl]acetate has a molecular weight of 285.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[7-[2-(methylamino)butan-2-yl]naphthalen-2-yl]acetate is sourced from PubChem (CID 70641553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).