2-ethoxyethyl 2-[4-[(4-butylphenyl)carbamoyl]phenoxy]acetate

C23H29NO5 — CID 7698438

IUPAC2-ethoxyethyl 2-[4-[(4-butylphenyl)carbamoyl]phenoxy]acetate
SMILESCCCCc1ccc(NC(=O)c2ccc(OCC(=O)OCCOCC)cc2)cc1
InChIInChI=1S/C23H29NO5/c1-3-5-6-18-7-11-20(12-8-18)24-23(26)19-9-13-21(14-10-19)29-17-22(25)28-16-15-27-4-2/h7-14H,3-6,15-17H2,1-2H3,(H,24,26)
InChIKeyCAKGLEQCURBVRJ-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.24
Rot. Bonds12

About 2-ethoxyethyl 2-[4-[(4-butylphenyl)carbamoyl]phenoxy]acetate

2-ethoxyethyl 2-[4-[(4-butylphenyl)carbamoyl]phenoxy]acetate (PubChem CID 7698438) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-ethoxyethyl 2-[4-[(4-butylphenyl)carbamoyl]phenoxy]acetate.

Molecular Properties

Compound Name2-ethoxyethyl 2-[4-[(4-butylphenyl)carbamoyl]phenoxy]acetate
PubChem CID7698438
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name2-ethoxyethyl 2-[4-[(4-butylphenyl)carbamoyl]phenoxy]acetate
SMILESCCCCc1ccc(NC(=O)c2ccc(OCC(=O)OCCOCC)cc2)cc1
InChIInChI=1S/C23H29NO5/c1-3-5-6-18-7-11-20(12-8-18)24-23(26)19-9-13-21(14-10-19)29-17-22(25)28-16-15-27-4-2/h7-14H,3-6,15-17H2,1-2H3,(H,24,26)
InChIKeyCAKGLEQCURBVRJ-UHFFFAOYSA-N
XLogP4.24
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.24
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

4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130195
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-propylbenzamide
CID 60584849
N-(4-benzamidophenyl)-4-(2-ethoxyethoxy)benzamide
CID 17235471
N-[4-(2-ethoxyethoxy)phenyl]-4-propan-2-yloxybenzamide
CID 17130636
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N-(4-butylphenyl)-4-(4-methylphenoxy)benzamide
CID 16651108
N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide
CID 3324314
4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide
CID 44723465
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-[4-[(4-butylphenyl)carbamoyl]phenoxy]acetate?
The IUPAC name of 2-ethoxyethyl 2-[4-[(4-butylphenyl)carbamoyl]phenoxy]acetate (CID 7698438) is 2-ethoxyethyl 2-[4-[(4-butylphenyl)carbamoyl]phenoxy]acetate.
What is the SMILES notation for 2-ethoxyethyl 2-[4-[(4-butylphenyl)carbamoyl]phenoxy]acetate?
The canonical SMILES for 2-ethoxyethyl 2-[4-[(4-butylphenyl)carbamoyl]phenoxy]acetate is CCCCc1ccc(NC(=O)c2ccc(OCC(=O)OCCOCC)cc2)cc1.
What is the InChIKey of 2-ethoxyethyl 2-[4-[(4-butylphenyl)carbamoyl]phenoxy]acetate?
The InChIKey is CAKGLEQCURBVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/c1-3-5-6-18-7-11-20(12-8-18)24-23(26)19-9-13-21(14-10-19)29-17-22(25)28-16-15-27-4-2/h7-14H,3-6,15-17H2,1-2H3,(H,24,26).
What are the key properties of 2-ethoxyethyl 2-[4-[(4-butylphenyl)carbamoyl]phenoxy]acetate?
2-ethoxyethyl 2-[4-[(4-butylphenyl)carbamoyl]phenoxy]acetate has a molecular weight of 399.49 g/mol, XLogP of 4.24, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-[4-[(4-butylphenyl)carbamoyl]phenoxy]acetate is sourced from PubChem (CID 7698438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).