N-[2-(4-tert-butylphenoxy)ethyl]-2-naphthalen-1-yloxypropanamide

C25H29NO3 — CID 133164585

IUPACN-[2-(4-tert-butylphenoxy)ethyl]-2-naphthalen-1-yloxypropanamide
SMILESCC(Oc1cccc2ccccc12)C(=O)NCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H29NO3/c1-18(29-23-11-7-9-19-8-5-6-10-22(19)23)24(27)26-16-17-28-21-14-12-20(13-15-21)25(2,3)4/h5-15,18H,16-17H2,1-4H3,(H,26,27)
InChIKeyAMXCKNXZLYKGEF-UHFFFAOYSA-N
MW391.51 g/mol
LogP5.10
Rot. Bonds7

About N-[2-(4-tert-butylphenoxy)ethyl]-2-naphthalen-1-yloxypropanamide

N-[2-(4-tert-butylphenoxy)ethyl]-2-naphthalen-1-yloxypropanamide (PubChem CID 133164585) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]-2-naphthalen-1-yloxypropanamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]-2-naphthalen-1-yloxypropanamide
PubChem CID133164585
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]-2-naphthalen-1-yloxypropanamide
SMILESCC(Oc1cccc2ccccc12)C(=O)NCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H29NO3/c1-18(29-23-11-7-9-19-8-5-6-10-22(19)23)24(27)26-16-17-28-21-14-12-20(13-15-21)25(2,3)4/h5-15,18H,16-17H2,1-4H3,(H,26,27)
InChIKeyAMXCKNXZLYKGEF-UHFFFAOYSA-N
XLogP5.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 55.10
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-(4-tert-butylphenoxy)ethyl]-2-(3-methoxyphenoxy)propanamide
CID 133239855
2-(2-methylphenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220515
2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenoxy)ethyl]propanamide
CID 133164114
2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220502
N-[2-(4-tert-butylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133185590
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 52988547
2-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 43915467
2-(2-ethylphenoxy)-N-(2-phenoxyethyl)propanamide
CID 133239770
2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 55686865
N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 133239810
(2R)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxypropanamide
CID 94015852
(2S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100561256

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-naphthalen-1-yloxypropanamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-naphthalen-1-yloxypropanamide (CID 133164585) is N-[2-(4-tert-butylphenoxy)ethyl]-2-naphthalen-1-yloxypropanamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]-2-naphthalen-1-yloxypropanamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]-2-naphthalen-1-yloxypropanamide is CC(Oc1cccc2ccccc12)C(=O)NCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]-2-naphthalen-1-yloxypropanamide?
The InChIKey is AMXCKNXZLYKGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c1-18(29-23-11-7-9-19-8-5-6-10-22(19)23)24(27)26-16-17-28-21-14-12-20(13-15-21)25(2,3)4/h5-15,18H,16-17H2,1-4H3,(H,26,27).
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]-2-naphthalen-1-yloxypropanamide?
N-[2-(4-tert-butylphenoxy)ethyl]-2-naphthalen-1-yloxypropanamide has a molecular weight of 391.51 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]-2-naphthalen-1-yloxypropanamide is sourced from PubChem (CID 133164585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).