3-phenylmethoxy-N-propan-2-ylcyclobutane-1-carboxamide

C15H21NO2 — CID 134576352

IUPAC3-phenylmethoxy-N-propan-2-ylcyclobutane-1-carboxamide
SMILESCC(C)NC(=O)C1CC(OCc2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-11(2)16-15(17)13-8-14(9-13)18-10-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H,16,17)
InChIKeyWBQNWRYOTSNARS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.51
Rot. Bonds5

About 3-phenylmethoxy-N-propan-2-ylcyclobutane-1-carboxamide

3-phenylmethoxy-N-propan-2-ylcyclobutane-1-carboxamide (PubChem CID 134576352) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-phenylmethoxy-N-propan-2-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-phenylmethoxy-N-propan-2-ylcyclobutane-1-carboxamide
PubChem CID134576352
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-phenylmethoxy-N-propan-2-ylcyclobutane-1-carboxamide
SMILESCC(C)NC(=O)C1CC(OCc2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-11(2)16-15(17)13-8-14(9-13)18-10-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H,16,17)
InChIKeyWBQNWRYOTSNARS-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-N-propan-2-ylcyclobutane-1-carboxamide?
The IUPAC name of 3-phenylmethoxy-N-propan-2-ylcyclobutane-1-carboxamide (CID 134576352) is 3-phenylmethoxy-N-propan-2-ylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-phenylmethoxy-N-propan-2-ylcyclobutane-1-carboxamide?
The canonical SMILES for 3-phenylmethoxy-N-propan-2-ylcyclobutane-1-carboxamide is CC(C)NC(=O)C1CC(OCc2ccccc2)C1.
What is the InChIKey of 3-phenylmethoxy-N-propan-2-ylcyclobutane-1-carboxamide?
The InChIKey is WBQNWRYOTSNARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(2)16-15(17)13-8-14(9-13)18-10-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H,16,17).
What are the key properties of 3-phenylmethoxy-N-propan-2-ylcyclobutane-1-carboxamide?
3-phenylmethoxy-N-propan-2-ylcyclobutane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-N-propan-2-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 134576352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).