4-(2-phenylmethoxyethoxy)pentyl carbamate

C15H23NO4 — CID 175093685

IUPAC4-(2-phenylmethoxyethoxy)pentyl carbamate
SMILESCC(CCCOC(N)=O)OCCOCc1ccccc1
InChIInChI=1S/C15H23NO4/c1-13(6-5-9-20-15(16)17)19-11-10-18-12-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H2,16,17)
InChIKeyXHUXDVXUYSSFDB-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.48
Rot. Bonds10

About 4-(2-phenylmethoxyethoxy)pentyl carbamate

4-(2-phenylmethoxyethoxy)pentyl carbamate (PubChem CID 175093685) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-(2-phenylmethoxyethoxy)pentyl carbamate.

Molecular Properties

Compound Name4-(2-phenylmethoxyethoxy)pentyl carbamate
PubChem CID175093685
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name4-(2-phenylmethoxyethoxy)pentyl carbamate
SMILESCC(CCCOC(N)=O)OCCOCc1ccccc1
InChIInChI=1S/C15H23NO4/c1-13(6-5-9-20-15(16)17)19-11-10-18-12-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H2,16,17)
InChIKeyXHUXDVXUYSSFDB-UHFFFAOYSA-N
XLogP2.48
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.48
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

2-(6-bromohexan-2-yloxy)ethoxymethylbenzene
CID 91560056
1-(2-phenylmethoxyethoxy)ethanol
CID 121292346
4-(3-phenylmethoxypropoxy)pentane-1-sulfonic acid
CID 174203688
3-methyl-6-phenylmethoxyhexan-2-one
CID 15686946
2-(2-phenylmethoxyethoxy)propyl N-tert-butylcarbamate
CID 90840160
2-[1-(3-methylbutoxy)propan-2-yloxy]ethoxymethylbenzene
CID 165127781
dimethyl 2-(3-phenylmethoxypropyl)propanedioate
CID 170992106
4-hydroxy-3-methyl-7-phenylmethoxyheptan-2-one
CID 18338993
2-[2-(2-hexan-2-yloxyethoxy)ethoxy]ethyl benzoate
CID 175732668
3-methyl-6-phenylmethoxyhexan-2-amine
CID 130588586
methyl 2-chloro-4-phenylmethoxybutanoate
CID 121009270
3,3-dimethyl-2-(2-phenylmethoxyethoxy)butanoic acid
CID 67216614

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylmethoxyethoxy)pentyl carbamate?
The IUPAC name of 4-(2-phenylmethoxyethoxy)pentyl carbamate (CID 175093685) is 4-(2-phenylmethoxyethoxy)pentyl carbamate.
What is the SMILES notation for 4-(2-phenylmethoxyethoxy)pentyl carbamate?
The canonical SMILES for 4-(2-phenylmethoxyethoxy)pentyl carbamate is CC(CCCOC(N)=O)OCCOCc1ccccc1.
What is the InChIKey of 4-(2-phenylmethoxyethoxy)pentyl carbamate?
The InChIKey is XHUXDVXUYSSFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-13(6-5-9-20-15(16)17)19-11-10-18-12-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H2,16,17).
What are the key properties of 4-(2-phenylmethoxyethoxy)pentyl carbamate?
4-(2-phenylmethoxyethoxy)pentyl carbamate has a molecular weight of 281.35 g/mol, XLogP of 2.48, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylmethoxyethoxy)pentyl carbamate is sourced from PubChem (CID 175093685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).