2-(2-methylphenoxy)ethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate

C21H25NO5 — CID 42965917

IUPAC2-(2-methylphenoxy)ethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate
SMILESCc1ccccc1OCCOC(=O)CNC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C21H25NO5/c1-15(2)27-18-10-8-17(9-11-18)21(24)22-14-20(23)26-13-12-25-19-7-5-4-6-16(19)3/h4-11,15H,12-14H2,1-3H3,(H,22,24)
InChIKeyGYZSYLIHBCUJHA-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.13
Rot. Bonds9

About 2-(2-methylphenoxy)ethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate

2-(2-methylphenoxy)ethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate (PubChem CID 42965917) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-(2-methylphenoxy)ethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate.

Molecular Properties

Compound Name2-(2-methylphenoxy)ethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate
PubChem CID42965917
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name2-(2-methylphenoxy)ethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate
SMILESCc1ccccc1OCCOC(=O)CNC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C21H25NO5/c1-15(2)27-18-10-8-17(9-11-18)21(24)22-14-20(23)26-13-12-25-19-7-5-4-6-16(19)3/h4-11,15H,12-14H2,1-3H3,(H,22,24)
InChIKeyGYZSYLIHBCUJHA-UHFFFAOYSA-N
XLogP3.13
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzamide
CID 51065574
2-(2-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788015
pyridin-2-ylmethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate
CID 43053311
2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308
N-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide
CID 51545646
4-[2-(2-methylphenoxy)ethoxy]benzamide
CID 7893411
2-(2-methylphenoxy)ethyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 40751141
2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833306
2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8787743
(2-methylphenyl) 2-[[4-(dimethylamino)benzoyl]amino]acetate
CID 110670232
ethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
CID 4948251
(2-methylphenyl) 2-[(4-chlorobenzoyl)amino]acetate
CID 110670281

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)ethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate?
The IUPAC name of 2-(2-methylphenoxy)ethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate (CID 42965917) is 2-(2-methylphenoxy)ethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate.
What is the SMILES notation for 2-(2-methylphenoxy)ethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate?
The canonical SMILES for 2-(2-methylphenoxy)ethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate is Cc1ccccc1OCCOC(=O)CNC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(2-methylphenoxy)ethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate?
The InChIKey is GYZSYLIHBCUJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-15(2)27-18-10-8-17(9-11-18)21(24)22-14-20(23)26-13-12-25-19-7-5-4-6-16(19)3/h4-11,15H,12-14H2,1-3H3,(H,22,24).
What are the key properties of 2-(2-methylphenoxy)ethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate?
2-(2-methylphenoxy)ethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate has a molecular weight of 371.43 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)ethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate is sourced from PubChem (CID 42965917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).