methyl 2-naphthalen-2-yl-2-(oxan-3-ylamino)acetate

C18H21NO3 — CID 86802068

IUPACmethyl 2-naphthalen-2-yl-2-(oxan-3-ylamino)acetate
SMILESCOC(=O)C(NC1CCCOC1)c1ccc2ccccc2c1
InChIInChI=1S/C18H21NO3/c1-21-18(20)17(19-16-7-4-10-22-12-16)15-9-8-13-5-2-3-6-14(13)11-15/h2-3,5-6,8-9,11,16-17,19H,4,7,10,12H2,1H3
InChIKeyQCKSLNAVNQQFKR-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.82
Rot. Bonds4

About methyl 2-naphthalen-2-yl-2-(oxan-3-ylamino)acetate

methyl 2-naphthalen-2-yl-2-(oxan-3-ylamino)acetate (PubChem CID 86802068) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl 2-naphthalen-2-yl-2-(oxan-3-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-naphthalen-2-yl-2-(oxan-3-ylamino)acetate
PubChem CID86802068
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Namemethyl 2-naphthalen-2-yl-2-(oxan-3-ylamino)acetate
SMILESCOC(=O)C(NC1CCCOC1)c1ccc2ccccc2c1
InChIInChI=1S/C18H21NO3/c1-21-18(20)17(19-16-7-4-10-22-12-16)15-9-8-13-5-2-3-6-14(13)11-15/h2-3,5-6,8-9,11,16-17,19H,4,7,10,12H2,1H3
InChIKeyQCKSLNAVNQQFKR-UHFFFAOYSA-N
XLogP2.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetamido-2-naphthalen-2-ylacetate
CID 45100878
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate
CID 54894017
1-[(1S)-1-naphthalen-2-ylethyl]-3-[(4S)-oxepan-4-yl]urea
CID 124614578
methyl (2R)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]-2-naphthalen-2-ylacetate
CID 97350475
dimethyl 2-[(1R)-1-naphthalen-2-ylethyl]propanedioate
CID 101238561
N-[1-(4-methoxyphenyl)propyl]oxan-3-amine
CID 63359865
methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate
CID 60796680
methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146135
N-[naphthalen-2-yl(oxan-3-yl)methyl]propan-1-amine
CID 65332373
methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate
CID 65080240
methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate
CID 60998889

Frequently Asked Questions

What is the IUPAC name of methyl 2-naphthalen-2-yl-2-(oxan-3-ylamino)acetate?
The IUPAC name of methyl 2-naphthalen-2-yl-2-(oxan-3-ylamino)acetate (CID 86802068) is methyl 2-naphthalen-2-yl-2-(oxan-3-ylamino)acetate.
What is the SMILES notation for methyl 2-naphthalen-2-yl-2-(oxan-3-ylamino)acetate?
The canonical SMILES for methyl 2-naphthalen-2-yl-2-(oxan-3-ylamino)acetate is COC(=O)C(NC1CCCOC1)c1ccc2ccccc2c1.
What is the InChIKey of methyl 2-naphthalen-2-yl-2-(oxan-3-ylamino)acetate?
The InChIKey is QCKSLNAVNQQFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-21-18(20)17(19-16-7-4-10-22-12-16)15-9-8-13-5-2-3-6-14(13)11-15/h2-3,5-6,8-9,11,16-17,19H,4,7,10,12H2,1H3.
What are the key properties of methyl 2-naphthalen-2-yl-2-(oxan-3-ylamino)acetate?
methyl 2-naphthalen-2-yl-2-(oxan-3-ylamino)acetate has a molecular weight of 299.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-naphthalen-2-yl-2-(oxan-3-ylamino)acetate is sourced from PubChem (CID 86802068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).