N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide

C22H29NO4 — CID 132655794

IUPACN-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide
SMILESCCOc1ccc(CCCNC(=O)C(CC)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H29NO4/c1-4-21(27-20-14-12-18(25-3)13-15-20)22(24)23-16-6-7-17-8-10-19(11-9-17)26-5-2/h8-15,21H,4-7,16H2,1-3H3,(H,23,24)
InChIKeyMGXIXTQGRDYODE-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.00
Rot. Bonds11

About N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide

N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide (PubChem CID 132655794) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide
PubChem CID132655794
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC NameN-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide
SMILESCCOc1ccc(CCCNC(=O)C(CC)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H29NO4/c1-4-21(27-20-14-12-18(25-3)13-15-20)22(24)23-16-6-7-17-8-10-19(11-9-17)26-5-2/h8-15,21H,4-7,16H2,1-3H3,(H,23,24)
InChIKeyMGXIXTQGRDYODE-UHFFFAOYSA-N
XLogP4.00
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.00
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

N-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide
CID 132653717
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 132653933
(2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide
CID 93487712
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 132653897
N-[3-(4-methoxyphenyl)propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133187198
(2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 92683031
2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide
CID 132658170
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082583
(2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 99951781
N-[3-(4-ethoxyphenyl)propyl]-2-methoxyacetamide
CID 100569556
(2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide
CID 124561354
N-[(4-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide
CID 53288894

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide?
The IUPAC name of N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide (CID 132655794) is N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide?
The canonical SMILES for N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide is CCOc1ccc(CCCNC(=O)C(CC)Oc2ccc(OC)cc2)cc1.
What is the InChIKey of N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide?
The InChIKey is MGXIXTQGRDYODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-4-21(27-20-14-12-18(25-3)13-15-20)22(24)23-16-6-7-17-8-10-19(11-9-17)26-5-2/h8-15,21H,4-7,16H2,1-3H3,(H,23,24).
What are the key properties of N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide?
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide has a molecular weight of 371.48 g/mol, XLogP of 4.00, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 132655794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).