N-[4-[3-(methoxymethoxy)-4-phenylphenyl]-4-methylpentyl]acetamide

C22H29NO3 — CID 89089727

IUPACN-[4-[3-(methoxymethoxy)-4-phenylphenyl]-4-methylpentyl]acetamide
SMILESCOCOc1cc(C(C)(C)CCCNC(C)=O)ccc1-c1ccccc1
InChIInChI=1S/C22H29NO3/c1-17(24)23-14-8-13-22(2,3)19-11-12-20(18-9-6-5-7-10-18)21(15-19)26-16-25-4/h5-7,9-12,15H,8,13-14,16H2,1-4H3,(H,23,24)
InChIKeyIFNSQNIYKQKPKI-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.53
Rot. Bonds9

About N-[4-[3-(methoxymethoxy)-4-phenylphenyl]-4-methylpentyl]acetamide

N-[4-[3-(methoxymethoxy)-4-phenylphenyl]-4-methylpentyl]acetamide (PubChem CID 89089727) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[4-[3-(methoxymethoxy)-4-phenylphenyl]-4-methylpentyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(methoxymethoxy)-4-phenylphenyl]-4-methylpentyl]acetamide
PubChem CID89089727
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-[4-[3-(methoxymethoxy)-4-phenylphenyl]-4-methylpentyl]acetamide
SMILESCOCOc1cc(C(C)(C)CCCNC(C)=O)ccc1-c1ccccc1
InChIInChI=1S/C22H29NO3/c1-17(24)23-14-8-13-22(2,3)19-11-12-20(18-9-6-5-7-10-18)21(15-19)26-16-25-4/h5-7,9-12,15H,8,13-14,16H2,1-4H3,(H,23,24)
InChIKeyIFNSQNIYKQKPKI-UHFFFAOYSA-N
XLogP4.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(methoxymethoxy)-4-phenylphenyl]-4-methylpentyl]acetamide?
The IUPAC name of N-[4-[3-(methoxymethoxy)-4-phenylphenyl]-4-methylpentyl]acetamide (CID 89089727) is N-[4-[3-(methoxymethoxy)-4-phenylphenyl]-4-methylpentyl]acetamide.
What is the SMILES notation for N-[4-[3-(methoxymethoxy)-4-phenylphenyl]-4-methylpentyl]acetamide?
The canonical SMILES for N-[4-[3-(methoxymethoxy)-4-phenylphenyl]-4-methylpentyl]acetamide is COCOc1cc(C(C)(C)CCCNC(C)=O)ccc1-c1ccccc1.
What is the InChIKey of N-[4-[3-(methoxymethoxy)-4-phenylphenyl]-4-methylpentyl]acetamide?
The InChIKey is IFNSQNIYKQKPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-17(24)23-14-8-13-22(2,3)19-11-12-20(18-9-6-5-7-10-18)21(15-19)26-16-25-4/h5-7,9-12,15H,8,13-14,16H2,1-4H3,(H,23,24).
What are the key properties of N-[4-[3-(methoxymethoxy)-4-phenylphenyl]-4-methylpentyl]acetamide?
N-[4-[3-(methoxymethoxy)-4-phenylphenyl]-4-methylpentyl]acetamide has a molecular weight of 355.48 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(methoxymethoxy)-4-phenylphenyl]-4-methylpentyl]acetamide is sourced from PubChem (CID 89089727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).