methyl 2-(3-hydroxyphenyl)-2-[[3-(2-methylpropylcarbamoyl)phenyl]methylamino]acetate

C21H26N2O4 — CID 75506294

IUPACmethyl 2-(3-hydroxyphenyl)-2-[[3-(2-methylpropylcarbamoyl)phenyl]methylamino]acetate
SMILESCOC(=O)C(NCc1cccc(C(=O)NCC(C)C)c1)c1cccc(O)c1
InChIInChI=1S/C21H26N2O4/c1-14(2)12-23-20(25)17-8-4-6-15(10-17)13-22-19(21(26)27-3)16-7-5-9-18(24)11-16/h4-11,14,19,22,24H,12-13H2,1-3H3,(H,23,25)
InChIKeyKKQYHQONAFIVGY-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.78
Rot. Bonds8

About methyl 2-(3-hydroxyphenyl)-2-[[3-(2-methylpropylcarbamoyl)phenyl]methylamino]acetate

methyl 2-(3-hydroxyphenyl)-2-[[3-(2-methylpropylcarbamoyl)phenyl]methylamino]acetate (PubChem CID 75506294) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is methyl 2-(3-hydroxyphenyl)-2-[[3-(2-methylpropylcarbamoyl)phenyl]methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-(3-hydroxyphenyl)-2-[[3-(2-methylpropylcarbamoyl)phenyl]methylamino]acetate
PubChem CID75506294
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Namemethyl 2-(3-hydroxyphenyl)-2-[[3-(2-methylpropylcarbamoyl)phenyl]methylamino]acetate
SMILESCOC(=O)C(NCc1cccc(C(=O)NCC(C)C)c1)c1cccc(O)c1
InChIInChI=1S/C21H26N2O4/c1-14(2)12-23-20(25)17-8-4-6-15(10-17)13-22-19(21(26)27-3)16-7-5-9-18(24)11-16/h4-11,14,19,22,24H,12-13H2,1-3H3,(H,23,25)
InChIKeyKKQYHQONAFIVGY-UHFFFAOYSA-N
XLogP2.78
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[[3-[[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]methyl]phenyl]methylamino]-2-phenylacetate
CID 24762008
N,3-bis(2-methylpropyl)benzamide
CID 176945198
methyl 2-[(3-hydroxyphenyl)methylamino]propanoate
CID 60780652
methyl 3-(2-methylpropylcarbamoyl)benzoate
CID 108786629
methyl 2-hydroxy-3-[[3-(methoxymethyl)benzoyl]amino]propanoate
CID 103879076
N-(2,2-dimethoxyethyl)-3-hydroxybenzamide
CID 60653076
methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
methyl 2-(3-chlorophenyl)-2-(2-methylpropylamino)acetate
CID 54894670
methyl (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methylamino]acetate
CID 124888400
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174
N-(2-methylpropyl)-3-(naphthalen-2-yloxymethyl)benzamide
CID 903861
3-methyl-N-(2-methylpropyl)benzamide
CID 835315

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-hydroxyphenyl)-2-[[3-(2-methylpropylcarbamoyl)phenyl]methylamino]acetate?
The IUPAC name of methyl 2-(3-hydroxyphenyl)-2-[[3-(2-methylpropylcarbamoyl)phenyl]methylamino]acetate (CID 75506294) is methyl 2-(3-hydroxyphenyl)-2-[[3-(2-methylpropylcarbamoyl)phenyl]methylamino]acetate.
What is the SMILES notation for methyl 2-(3-hydroxyphenyl)-2-[[3-(2-methylpropylcarbamoyl)phenyl]methylamino]acetate?
The canonical SMILES for methyl 2-(3-hydroxyphenyl)-2-[[3-(2-methylpropylcarbamoyl)phenyl]methylamino]acetate is COC(=O)C(NCc1cccc(C(=O)NCC(C)C)c1)c1cccc(O)c1.
What is the InChIKey of methyl 2-(3-hydroxyphenyl)-2-[[3-(2-methylpropylcarbamoyl)phenyl]methylamino]acetate?
The InChIKey is KKQYHQONAFIVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14(2)12-23-20(25)17-8-4-6-15(10-17)13-22-19(21(26)27-3)16-7-5-9-18(24)11-16/h4-11,14,19,22,24H,12-13H2,1-3H3,(H,23,25).
What are the key properties of methyl 2-(3-hydroxyphenyl)-2-[[3-(2-methylpropylcarbamoyl)phenyl]methylamino]acetate?
methyl 2-(3-hydroxyphenyl)-2-[[3-(2-methylpropylcarbamoyl)phenyl]methylamino]acetate has a molecular weight of 370.45 g/mol, XLogP of 2.78, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-hydroxyphenyl)-2-[[3-(2-methylpropylcarbamoyl)phenyl]methylamino]acetate is sourced from PubChem (CID 75506294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).