2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenoxy)ethyl]propanamide

C21H26ClNO3 — CID 133164114

IUPAC2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenoxy)ethyl]propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccccc1Cl
InChIInChI=1S/C21H26ClNO3/c1-15(26-17-11-9-16(10-12-17)21(2,3)4)20(24)23-13-14-25-19-8-6-5-7-18(19)22/h5-12,15H,13-14H2,1-4H3,(H,23,24)
InChIKeyBTBCRLMUILTWIP-UHFFFAOYSA-N
MW375.90 g/mol
LogP4.60
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenoxy)ethyl]propanamide

2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenoxy)ethyl]propanamide (PubChem CID 133164114) has the molecular formula C21H26ClNO3 and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenoxy)ethyl]propanamide
PubChem CID133164114
Molecular FormulaC21H26ClNO3
Molecular Weight375.90 g/mol
Exact Mass375.16
IUPAC Name2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenoxy)ethyl]propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccccc1Cl
InChIInChI=1S/C21H26ClNO3/c1-15(26-17-11-9-16(10-12-17)21(2,3)4)20(24)23-13-14-25-19-8-6-5-7-18(19)22/h5-12,15H,13-14H2,1-4H3,(H,23,24)
InChIKeyBTBCRLMUILTWIP-UHFFFAOYSA-N
XLogP4.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
CID 133164174
(2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 92540063
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 52988547
N-[2-(4-tert-butylphenoxy)ethyl]-2-naphthalen-1-yloxypropanamide
CID 133164585
2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220502
N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methoxyphenoxy)propanamide
CID 133239855
2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide
CID 133239938
(2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide
CID 94633957
2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 55686865
(2R)-2-(4-fluorophenoxy)-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 94633905
2-(4-tert-butylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 133240630
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenoxy)ethyl]propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenoxy)ethyl]propanamide (CID 133164114) is 2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenoxy)ethyl]propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenoxy)ethyl]propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenoxy)ethyl]propanamide is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccccc1Cl.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenoxy)ethyl]propanamide?
The InChIKey is BTBCRLMUILTWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO3/c1-15(26-17-11-9-16(10-12-17)21(2,3)4)20(24)23-13-14-25-19-8-6-5-7-18(19)22/h5-12,15H,13-14H2,1-4H3,(H,23,24).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenoxy)ethyl]propanamide?
2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenoxy)ethyl]propanamide has a molecular weight of 375.90 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenoxy)ethyl]propanamide is sourced from PubChem (CID 133164114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).