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

C23H29NO4 — CID 4229182

IUPACpentyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
SMILESCCCCCOC(=O)C(C)Oc1ccc(C(=O)Nc2ccccc2CC)cc1
InChIInChI=1S/C23H29NO4/c1-4-6-9-16-27-23(26)17(3)28-20-14-12-19(13-15-20)22(25)24-21-11-8-7-10-18(21)5-2/h7-8,10-15,17H,4-6,9,16H2,1-3H3,(H,24,25)
InChIKeyNSGSJNZJZVIEMH-UHFFFAOYSA-N
MW383.49 g/mol
LogP5.00
Rot. Bonds10

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

pentyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate (PubChem CID 4229182) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is pentyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate.

Molecular Properties

Compound Namepentyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
PubChem CID4229182
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Namepentyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
SMILESCCCCCOC(=O)C(C)Oc1ccc(C(=O)Nc2ccccc2CC)cc1
InChIInChI=1S/C23H29NO4/c1-4-6-9-16-27-23(26)17(3)28-20-14-12-19(13-15-20)22(25)24-21-11-8-7-10-18(21)5-2/h7-8,10-15,17H,4-6,9,16H2,1-3H3,(H,24,25)
InChIKeyNSGSJNZJZVIEMH-UHFFFAOYSA-N
XLogP5.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.00
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

butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4229096
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
hexyl 4-(2-phenoxypropanoylamino)benzoate
CID 53265697

Frequently Asked Questions

What is the IUPAC name of pentyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate?
The IUPAC name of pentyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate (CID 4229182) is pentyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate.
What is the SMILES notation for pentyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate?
The canonical SMILES for pentyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate is CCCCCOC(=O)C(C)Oc1ccc(C(=O)Nc2ccccc2CC)cc1.
What is the InChIKey of pentyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate?
The InChIKey is NSGSJNZJZVIEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-4-6-9-16-27-23(26)17(3)28-20-14-12-19(13-15-20)22(25)24-21-11-8-7-10-18(21)5-2/h7-8,10-15,17H,4-6,9,16H2,1-3H3,(H,24,25).
What are the key properties of pentyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate?
pentyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate has a molecular weight of 383.49 g/mol, XLogP of 5.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate is sourced from PubChem (CID 4229182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).