methyl 2-[(4-methoxy-3-propan-2-ylphenyl)methylamino]acetate

C14H21NO3 — CID 115232859

IUPACmethyl 2-[(4-methoxy-3-propan-2-ylphenyl)methylamino]acetate
SMILESCOC(=O)CNCc1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C14H21NO3/c1-10(2)12-7-11(5-6-13(12)17-3)8-15-9-14(16)18-4/h5-7,10,15H,8-9H2,1-4H3
InChIKeyPJCKFJZVSJSBJS-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.08
Rot. Bonds6

About methyl 2-[(4-methoxy-3-propan-2-ylphenyl)methylamino]acetate

methyl 2-[(4-methoxy-3-propan-2-ylphenyl)methylamino]acetate (PubChem CID 115232859) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-[(4-methoxy-3-propan-2-ylphenyl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxy-3-propan-2-ylphenyl)methylamino]acetate
PubChem CID115232859
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-[(4-methoxy-3-propan-2-ylphenyl)methylamino]acetate
SMILESCOC(=O)CNCc1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C14H21NO3/c1-10(2)12-7-11(5-6-13(12)17-3)8-15-9-14(16)18-4/h5-7,10,15H,8-9H2,1-4H3
InChIKeyPJCKFJZVSJSBJS-UHFFFAOYSA-N
XLogP2.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxy-3-propan-2-ylphenyl)methylamino]propan-1-ol
CID 94687238
N'-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxamide
CID 115191802
2-hydroxy-N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-2-methylpropanamide
CID 115178740
ethyl 2-[(3-chloro-4-methoxyphenyl)methylamino]acetate
CID 65021849
4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid
CID 10060027
methyl 3-(4-methoxy-3-propan-2-ylanilino)-3-oxopropanoate
CID 115174107
4-[(4-methoxy-3-propan-2-ylphenyl)methylamino]butanenitrile
CID 115231672
tert-butyl 2-[(3-hydroxy-4-methoxyphenyl)methylamino]acetate
CID 79003996
methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate
CID 63045145
(4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate
CID 112510480
N-(2-methoxyethyl)-2-(4-methoxy-3-propan-2-ylphenyl)acetamide
CID 110767573
2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109003078

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxy-3-propan-2-ylphenyl)methylamino]acetate?
The IUPAC name of methyl 2-[(4-methoxy-3-propan-2-ylphenyl)methylamino]acetate (CID 115232859) is methyl 2-[(4-methoxy-3-propan-2-ylphenyl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(4-methoxy-3-propan-2-ylphenyl)methylamino]acetate?
The canonical SMILES for methyl 2-[(4-methoxy-3-propan-2-ylphenyl)methylamino]acetate is COC(=O)CNCc1ccc(OC)c(C(C)C)c1.
What is the InChIKey of methyl 2-[(4-methoxy-3-propan-2-ylphenyl)methylamino]acetate?
The InChIKey is PJCKFJZVSJSBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)12-7-11(5-6-13(12)17-3)8-15-9-14(16)18-4/h5-7,10,15H,8-9H2,1-4H3.
What are the key properties of methyl 2-[(4-methoxy-3-propan-2-ylphenyl)methylamino]acetate?
methyl 2-[(4-methoxy-3-propan-2-ylphenyl)methylamino]acetate has a molecular weight of 251.33 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxy-3-propan-2-ylphenyl)methylamino]acetate is sourced from PubChem (CID 115232859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).