1-phenoxybutan-2-yl N-propylcarbamate

C14H21NO3 — CID 143240308

IUPAC1-phenoxybutan-2-yl N-propylcarbamate
SMILESCCCNC(=O)OC(CC)COc1ccccc1
InChIInChI=1S/C14H21NO3/c1-3-10-15-14(16)18-12(4-2)11-17-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,15,16)
InChIKeyDKXMWGQGIAMPIF-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.98
Rot. Bonds7

About 1-phenoxybutan-2-yl N-propylcarbamate

1-phenoxybutan-2-yl N-propylcarbamate (PubChem CID 143240308) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-phenoxybutan-2-yl N-propylcarbamate.

Molecular Properties

Compound Name1-phenoxybutan-2-yl N-propylcarbamate
PubChem CID143240308
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-phenoxybutan-2-yl N-propylcarbamate
SMILESCCCNC(=O)OC(CC)COc1ccccc1
InChIInChI=1S/C14H21NO3/c1-3-10-15-14(16)18-12(4-2)11-17-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,15,16)
InChIKeyDKXMWGQGIAMPIF-UHFFFAOYSA-N
XLogP2.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxybutan-2-yl N-propylcarbamate?
The IUPAC name of 1-phenoxybutan-2-yl N-propylcarbamate (CID 143240308) is 1-phenoxybutan-2-yl N-propylcarbamate.
What is the SMILES notation for 1-phenoxybutan-2-yl N-propylcarbamate?
The canonical SMILES for 1-phenoxybutan-2-yl N-propylcarbamate is CCCNC(=O)OC(CC)COc1ccccc1.
What is the InChIKey of 1-phenoxybutan-2-yl N-propylcarbamate?
The InChIKey is DKXMWGQGIAMPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-10-15-14(16)18-12(4-2)11-17-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,15,16).
What are the key properties of 1-phenoxybutan-2-yl N-propylcarbamate?
1-phenoxybutan-2-yl N-propylcarbamate has a molecular weight of 251.33 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxybutan-2-yl N-propylcarbamate is sourced from PubChem (CID 143240308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).