methyl 2-[5-[benzyl(1-cyclopropylethyl)carbamoyl]-2-methoxyphenoxy]acetate

C23H27NO5 — CID 55774668

IUPACmethyl 2-[5-[benzyl(1-cyclopropylethyl)carbamoyl]-2-methoxyphenoxy]acetate
SMILESCOC(=O)COc1cc(C(=O)N(Cc2ccccc2)C(C)C2CC2)ccc1OC
InChIInChI=1S/C23H27NO5/c1-16(18-9-10-18)24(14-17-7-5-4-6-8-17)23(26)19-11-12-20(27-2)21(13-19)29-15-22(25)28-3/h4-8,11-13,16,18H,9-10,14-15H2,1-3H3
InChIKeyNNNYUBJMFMCGET-UHFFFAOYSA-N
MW397.47 g/mol
LogP3.69
Rot. Bonds9

About methyl 2-[5-[benzyl(1-cyclopropylethyl)carbamoyl]-2-methoxyphenoxy]acetate

methyl 2-[5-[benzyl(1-cyclopropylethyl)carbamoyl]-2-methoxyphenoxy]acetate (PubChem CID 55774668) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is methyl 2-[5-[benzyl(1-cyclopropylethyl)carbamoyl]-2-methoxyphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[benzyl(1-cyclopropylethyl)carbamoyl]-2-methoxyphenoxy]acetate
PubChem CID55774668
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Namemethyl 2-[5-[benzyl(1-cyclopropylethyl)carbamoyl]-2-methoxyphenoxy]acetate
SMILESCOC(=O)COc1cc(C(=O)N(Cc2ccccc2)C(C)C2CC2)ccc1OC
InChIInChI=1S/C23H27NO5/c1-16(18-9-10-18)24(14-17-7-5-4-6-8-17)23(26)19-11-12-20(27-2)21(13-19)29-15-22(25)28-3/h4-8,11-13,16,18H,9-10,14-15H2,1-3H3
InChIKeyNNNYUBJMFMCGET-UHFFFAOYSA-N
XLogP3.69
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
CID 807482
1-benzyl-1-(1-cyclopropylethyl)-3-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]urea
CID 86902544
N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide
CID 92643816
benzyl 4-methoxy-3-(2-methoxy-2-oxoethoxy)benzoate
CID 52644904
4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide
CID 38252727
N-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)benzamide
CID 55558311
N,N-dibenzyl-3-ethoxy-4-methoxybenzamide
CID 55334507
methyl 2-[2-methoxy-4-[methyl-(4-phenylcyclohexyl)carbamoyl]phenoxy]acetate
CID 55774982
4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 30100434
N-benzyl-4-chloro-N-(1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 75854481
N-benzyl-N-(1-cyclopropylethyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 75854495
methyl (2S)-2-[benzyl-(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 71905565

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[benzyl(1-cyclopropylethyl)carbamoyl]-2-methoxyphenoxy]acetate?
The IUPAC name of methyl 2-[5-[benzyl(1-cyclopropylethyl)carbamoyl]-2-methoxyphenoxy]acetate (CID 55774668) is methyl 2-[5-[benzyl(1-cyclopropylethyl)carbamoyl]-2-methoxyphenoxy]acetate.
What is the SMILES notation for methyl 2-[5-[benzyl(1-cyclopropylethyl)carbamoyl]-2-methoxyphenoxy]acetate?
The canonical SMILES for methyl 2-[5-[benzyl(1-cyclopropylethyl)carbamoyl]-2-methoxyphenoxy]acetate is COC(=O)COc1cc(C(=O)N(Cc2ccccc2)C(C)C2CC2)ccc1OC.
What is the InChIKey of methyl 2-[5-[benzyl(1-cyclopropylethyl)carbamoyl]-2-methoxyphenoxy]acetate?
The InChIKey is NNNYUBJMFMCGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-16(18-9-10-18)24(14-17-7-5-4-6-8-17)23(26)19-11-12-20(27-2)21(13-19)29-15-22(25)28-3/h4-8,11-13,16,18H,9-10,14-15H2,1-3H3.
What are the key properties of methyl 2-[5-[benzyl(1-cyclopropylethyl)carbamoyl]-2-methoxyphenoxy]acetate?
methyl 2-[5-[benzyl(1-cyclopropylethyl)carbamoyl]-2-methoxyphenoxy]acetate has a molecular weight of 397.47 g/mol, XLogP of 3.69, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[benzyl(1-cyclopropylethyl)carbamoyl]-2-methoxyphenoxy]acetate is sourced from PubChem (CID 55774668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).