2-(4-chlorophenoxy)ethyl 3-[(2-methylbenzoyl)amino]propanoate

C19H20ClNO4 — CID 32510530

IUPAC2-(4-chlorophenoxy)ethyl 3-[(2-methylbenzoyl)amino]propanoate
SMILESCc1ccccc1C(=O)NCCC(=O)OCCOc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO4/c1-14-4-2-3-5-17(14)19(23)21-11-10-18(22)25-13-12-24-16-8-6-15(20)7-9-16/h2-9H,10-13H2,1H3,(H,21,23)
InChIKeyXBISAXRSWNMADX-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.39
Rot. Bonds8

About 2-(4-chlorophenoxy)ethyl 3-[(2-methylbenzoyl)amino]propanoate

2-(4-chlorophenoxy)ethyl 3-[(2-methylbenzoyl)amino]propanoate (PubChem CID 32510530) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethyl 3-[(2-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethyl 3-[(2-methylbenzoyl)amino]propanoate
PubChem CID32510530
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name2-(4-chlorophenoxy)ethyl 3-[(2-methylbenzoyl)amino]propanoate
SMILESCc1ccccc1C(=O)NCCC(=O)OCCOc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO4/c1-14-4-2-3-5-17(14)19(23)21-11-10-18(22)25-13-12-24-16-8-6-15(20)7-9-16/h2-9H,10-13H2,1H3,(H,21,23)
InChIKeyXBISAXRSWNMADX-UHFFFAOYSA-N
XLogP3.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hexyl 3-[(2-methylbenzoyl)amino]propanoate
CID 91710225
dodecyl 3-[(2-methylbenzoyl)amino]propanoate
CID 91710231
N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8935922
N-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8530728
(4-chlorophenyl) 3-[(2-chlorobenzoyl)amino]propanoate
CID 7900882
N-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide
CID 39384704
2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541769
N-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide
CID 17459278
2-(4-chlorophenoxy)ethyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 2575812
2-(4-chlorophenoxy)ethyl (2R)-2-[(2-chlorobenzoyl)amino]propanoate
CID 2575810
N-[2-(4-chlorophenoxy)ethyl]-2-methylfuran-3-carboxamide
CID 33183396
pentyl 3-[(2-chlorobenzoyl)amino]propanoate
CID 91716440

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)ethyl 3-[(2-methylbenzoyl)amino]propanoate?
The IUPAC name of 2-(4-chlorophenoxy)ethyl 3-[(2-methylbenzoyl)amino]propanoate (CID 32510530) is 2-(4-chlorophenoxy)ethyl 3-[(2-methylbenzoyl)amino]propanoate.
What is the SMILES notation for 2-(4-chlorophenoxy)ethyl 3-[(2-methylbenzoyl)amino]propanoate?
The canonical SMILES for 2-(4-chlorophenoxy)ethyl 3-[(2-methylbenzoyl)amino]propanoate is Cc1ccccc1C(=O)NCCC(=O)OCCOc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)ethyl 3-[(2-methylbenzoyl)amino]propanoate?
The InChIKey is XBISAXRSWNMADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-14-4-2-3-5-17(14)19(23)21-11-10-18(22)25-13-12-24-16-8-6-15(20)7-9-16/h2-9H,10-13H2,1H3,(H,21,23).
What are the key properties of 2-(4-chlorophenoxy)ethyl 3-[(2-methylbenzoyl)amino]propanoate?
2-(4-chlorophenoxy)ethyl 3-[(2-methylbenzoyl)amino]propanoate has a molecular weight of 361.83 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)ethyl 3-[(2-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 32510530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).