butan-2-yl N-[2-(4-butan-2-yloxyphenoxy)ethyl]carbamate

C17H27NO4 — CID 14552663

IUPACbutan-2-yl N-[2-(4-butan-2-yloxyphenoxy)ethyl]carbamate
SMILESCCC(C)OC(=O)NCCOc1ccc(OC(C)CC)cc1
InChIInChI=1S/C17H27NO4/c1-5-13(3)21-16-9-7-15(8-10-16)20-12-11-18-17(19)22-14(4)6-2/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,18,19)
InChIKeyMTHPNNBPDPPKCE-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.77
Rot. Bonds9

About butan-2-yl N-[2-(4-butan-2-yloxyphenoxy)ethyl]carbamate

butan-2-yl N-[2-(4-butan-2-yloxyphenoxy)ethyl]carbamate (PubChem CID 14552663) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is butan-2-yl N-[2-(4-butan-2-yloxyphenoxy)ethyl]carbamate.

Molecular Properties

Compound Namebutan-2-yl N-[2-(4-butan-2-yloxyphenoxy)ethyl]carbamate
PubChem CID14552663
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Namebutan-2-yl N-[2-(4-butan-2-yloxyphenoxy)ethyl]carbamate
SMILESCCC(C)OC(=O)NCCOc1ccc(OC(C)CC)cc1
InChIInChI=1S/C17H27NO4/c1-5-13(3)21-16-9-7-15(8-10-16)20-12-11-18-17(19)22-14(4)6-2/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,18,19)
InChIKeyMTHPNNBPDPPKCE-UHFFFAOYSA-N
XLogP3.77
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.77
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

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl N-[2-(4-butan-2-yloxyphenoxy)ethyl]carbamate?
The IUPAC name of butan-2-yl N-[2-(4-butan-2-yloxyphenoxy)ethyl]carbamate (CID 14552663) is butan-2-yl N-[2-(4-butan-2-yloxyphenoxy)ethyl]carbamate.
What is the SMILES notation for butan-2-yl N-[2-(4-butan-2-yloxyphenoxy)ethyl]carbamate?
The canonical SMILES for butan-2-yl N-[2-(4-butan-2-yloxyphenoxy)ethyl]carbamate is CCC(C)OC(=O)NCCOc1ccc(OC(C)CC)cc1.
What is the InChIKey of butan-2-yl N-[2-(4-butan-2-yloxyphenoxy)ethyl]carbamate?
The InChIKey is MTHPNNBPDPPKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4/c1-5-13(3)21-16-9-7-15(8-10-16)20-12-11-18-17(19)22-14(4)6-2/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,18,19).
What are the key properties of butan-2-yl N-[2-(4-butan-2-yloxyphenoxy)ethyl]carbamate?
butan-2-yl N-[2-(4-butan-2-yloxyphenoxy)ethyl]carbamate has a molecular weight of 309.41 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl N-[2-(4-butan-2-yloxyphenoxy)ethyl]carbamate is sourced from PubChem (CID 14552663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).