butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate

C22H27NO4 — CID 4229096

IUPACbutyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
SMILESCCCCOC(=O)C(C)Oc1ccc(C(=O)Nc2ccccc2CC)cc1
InChIInChI=1S/C22H27NO4/c1-4-6-15-26-22(25)16(3)27-19-13-11-18(12-14-19)21(24)23-20-10-8-7-9-17(20)5-2/h7-14,16H,4-6,15H2,1-3H3,(H,23,24)
InChIKeyAKBDNEVAXSFGKV-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.61
Rot. Bonds9

About butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate

butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate (PubChem CID 4229096) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate.

Molecular Properties

Compound Namebutyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
PubChem CID4229096
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Namebutyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
SMILESCCCCOC(=O)C(C)Oc1ccc(C(=O)Nc2ccccc2CC)cc1
InChIInChI=1S/C22H27NO4/c1-4-6-15-26-22(25)16(3)27-19-13-11-18(12-14-19)21(24)23-20-10-8-7-9-17(20)5-2/h7-14,16H,4-6,15H2,1-3H3,(H,23,24)
InChIKeyAKBDNEVAXSFGKV-UHFFFAOYSA-N
XLogP4.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.61
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

pentyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4229182
pentyl (2S)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate
CID 7695459
(2-chlorophenyl)methyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4231696
butyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate
CID 5076941
propyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate
CID 3543070
ethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate
CID 3543069
ethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 731943
ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 3690189
butyl (2S)-2-(4-ethylphenoxy)propanoate
CID 71346852
butyl 4-[(2R)-1-anilino-1-oxopropan-2-yl]oxybenzoate
CID 7984457
propyl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 5065242
4-[4-[(2-ethylphenyl)carbamoyl]phenoxy]butanoic acid
CID 22680833

Frequently Asked Questions

What is the IUPAC name of butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate?
The IUPAC name of butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate (CID 4229096) is butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate.
What is the SMILES notation for butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate?
The canonical SMILES for butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate is CCCCOC(=O)C(C)Oc1ccc(C(=O)Nc2ccccc2CC)cc1.
What is the InChIKey of butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate?
The InChIKey is AKBDNEVAXSFGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-4-6-15-26-22(25)16(3)27-19-13-11-18(12-14-19)21(24)23-20-10-8-7-9-17(20)5-2/h7-14,16H,4-6,15H2,1-3H3,(H,23,24).
What are the key properties of butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate?
butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate has a molecular weight of 369.46 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate is sourced from PubChem (CID 4229096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).