2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide

C25H29NO3 — CID 133240086

IUPAC2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide
SMILESCCCc1ccc(OCCNC(=O)C(CC)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C25H29NO3/c1-3-7-19-10-13-22(14-11-19)28-17-16-26-25(27)24(4-2)29-23-15-12-20-8-5-6-9-21(20)18-23/h5-6,8-15,18,24H,3-4,7,16-17H2,1-2H3,(H,26,27)
InChIKeyBAUPBCVBBWVQPQ-UHFFFAOYSA-N
MW391.51 g/mol
LogP5.14
Rot. Bonds10

About 2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide

2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide (PubChem CID 133240086) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide
PubChem CID133240086
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide
SMILESCCCc1ccc(OCCNC(=O)C(CC)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C25H29NO3/c1-3-7-19-10-13-22(14-11-19)28-17-16-26-25(27)24(4-2)29-23-15-12-20-8-5-6-9-21(20)18-23/h5-6,8-15,18,24H,3-4,7,16-17H2,1-2H3,(H,26,27)
InChIKeyBAUPBCVBBWVQPQ-UHFFFAOYSA-N
XLogP5.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 55.14
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-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide
CID 133240085
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 93486822
2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133239906
2-(3,5-dimethylphenoxy)-N-(2-naphthalen-2-yloxyethyl)butanamide
CID 133252076
(2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 94012280
(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide
CID 92647112
(2S)-N-(3-ethoxypropyl)-2-naphthalen-2-yloxybutanamide
CID 92686159
N-[2-(4-ethylphenoxy)ethyl]-2-naphthalen-2-yloxypropanamide
CID 133164555
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133185613
2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide
CID 133240011
(2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 94018484
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 99953693

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide (CID 133240086) is 2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide is CCCc1ccc(OCCNC(=O)C(CC)Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide?
The InChIKey is BAUPBCVBBWVQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c1-3-7-19-10-13-22(14-11-19)28-17-16-26-25(27)24(4-2)29-23-15-12-20-8-5-6-9-21(20)18-23/h5-6,8-15,18,24H,3-4,7,16-17H2,1-2H3,(H,26,27).
What are the key properties of 2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide?
2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide has a molecular weight of 391.51 g/mol, XLogP of 5.14, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide is sourced from PubChem (CID 133240086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).