methyl 2-[3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]phenoxy]acetate

C18H17N5O4 — CID 55870485

IUPACmethyl 2-[3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1
InChIInChI=1S/C18H17N5O4/c1-12-8-14(6-7-16(12)23-11-19-21-22-23)20-18(25)13-4-3-5-15(9-13)27-10-17(24)26-2/h3-9,11H,10H2,1-2H3,(H,20,25)
InChIKeyIZVABLKTCIJGEQ-UHFFFAOYSA-N
MW367.37 g/mol
LogP1.77
Rot. Bonds6

About methyl 2-[3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]phenoxy]acetate

methyl 2-[3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]phenoxy]acetate (PubChem CID 55870485) has the molecular formula C18H17N5O4 and a molecular weight of 367.37 g/mol. Its IUPAC name is methyl 2-[3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]phenoxy]acetate
PubChem CID55870485
Molecular FormulaC18H17N5O4
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC Namemethyl 2-[3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1
InChIInChI=1S/C18H17N5O4/c1-12-8-14(6-7-16(12)23-11-19-21-22-23)20-18(25)13-4-3-5-15(9-13)27-10-17(24)26-2/h3-9,11H,10H2,1-2H3,(H,20,25)
InChIKeyIZVABLKTCIJGEQ-UHFFFAOYSA-N
XLogP1.77
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55618154
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55564171
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-2-phenoxypyridine-3-carboxamide
CID 36722972
3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide
CID 46569736
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55564411
N-[3-methyl-4-(tetrazol-1-yl)phenyl]quinoxaline-5-carboxamide
CID 43816610
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 858850
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 9209133
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55564005
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate
CID 973408
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]phenoxy]acetate (CID 55870485) is methyl 2-[3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]phenoxy]acetate is COC(=O)COc1cccc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1.
What is the InChIKey of methyl 2-[3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]phenoxy]acetate?
The InChIKey is IZVABLKTCIJGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4/c1-12-8-14(6-7-16(12)23-11-19-21-22-23)20-18(25)13-4-3-5-15(9-13)27-10-17(24)26-2/h3-9,11H,10H2,1-2H3,(H,20,25).
What are the key properties of methyl 2-[3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]phenoxy]acetate?
methyl 2-[3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]phenoxy]acetate has a molecular weight of 367.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]phenoxy]acetate is sourced from PubChem (CID 55870485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).