phenyl N-[1-(4-butoxyphenyl)propyl]carbamate

C20H25NO3 — CID 20872827

IUPACphenyl N-[1-(4-butoxyphenyl)propyl]carbamate
SMILESCCCCOc1ccc(C(CC)NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C20H25NO3/c1-3-5-15-23-17-13-11-16(12-14-17)19(4-2)21-20(22)24-18-9-7-6-8-10-18/h6-14,19H,3-5,15H2,1-2H3,(H,21,22)
InChIKeyFSKKTZPFXFTOGX-UHFFFAOYSA-N
MW327.42 g/mol
LogP5.11
Rot. Bonds8

About phenyl N-[1-(4-butoxyphenyl)propyl]carbamate

phenyl N-[1-(4-butoxyphenyl)propyl]carbamate (PubChem CID 20872827) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is phenyl N-[1-(4-butoxyphenyl)propyl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(4-butoxyphenyl)propyl]carbamate
PubChem CID20872827
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Namephenyl N-[1-(4-butoxyphenyl)propyl]carbamate
SMILESCCCCOc1ccc(C(CC)NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C20H25NO3/c1-3-5-15-23-17-13-11-16(12-14-17)19(4-2)21-20(22)24-18-9-7-6-8-10-18/h6-14,19H,3-5,15H2,1-2H3,(H,21,22)
InChIKeyFSKKTZPFXFTOGX-UHFFFAOYSA-N
XLogP5.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.42
LogP ≤ 55.11
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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Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(4-butoxyphenyl)propyl]carbamate?
The IUPAC name of phenyl N-[1-(4-butoxyphenyl)propyl]carbamate (CID 20872827) is phenyl N-[1-(4-butoxyphenyl)propyl]carbamate.
What is the SMILES notation for phenyl N-[1-(4-butoxyphenyl)propyl]carbamate?
The canonical SMILES for phenyl N-[1-(4-butoxyphenyl)propyl]carbamate is CCCCOc1ccc(C(CC)NC(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl N-[1-(4-butoxyphenyl)propyl]carbamate?
The InChIKey is FSKKTZPFXFTOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-3-5-15-23-17-13-11-16(12-14-17)19(4-2)21-20(22)24-18-9-7-6-8-10-18/h6-14,19H,3-5,15H2,1-2H3,(H,21,22).
What are the key properties of phenyl N-[1-(4-butoxyphenyl)propyl]carbamate?
phenyl N-[1-(4-butoxyphenyl)propyl]carbamate has a molecular weight of 327.42 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(4-butoxyphenyl)propyl]carbamate is sourced from PubChem (CID 20872827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).