1-tert-butyl-N-methoxy-N-methyl-3-phenylmethoxycyclobutane-1-carboxamide

C18H27NO3 — CID 146463485

IUPAC1-tert-butyl-N-methoxy-N-methyl-3-phenylmethoxycyclobutane-1-carboxamide
SMILESCON(C)C(=O)C1(C(C)(C)C)CC(OCc2ccccc2)C1
InChIInChI=1S/C18H27NO3/c1-17(2,3)18(16(20)19(4)21-5)11-15(12-18)22-13-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3
InChIKeyKFHFRKBBZCULOD-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.42
Rot. Bonds5

About 1-tert-butyl-N-methoxy-N-methyl-3-phenylmethoxycyclobutane-1-carboxamide

1-tert-butyl-N-methoxy-N-methyl-3-phenylmethoxycyclobutane-1-carboxamide (PubChem CID 146463485) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-tert-butyl-N-methoxy-N-methyl-3-phenylmethoxycyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-methoxy-N-methyl-3-phenylmethoxycyclobutane-1-carboxamide
PubChem CID146463485
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name1-tert-butyl-N-methoxy-N-methyl-3-phenylmethoxycyclobutane-1-carboxamide
SMILESCON(C)C(=O)C1(C(C)(C)C)CC(OCc2ccccc2)C1
InChIInChI=1S/C18H27NO3/c1-17(2,3)18(16(20)19(4)21-5)11-15(12-18)22-13-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3
InChIKeyKFHFRKBBZCULOD-UHFFFAOYSA-N
XLogP3.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-methoxy-N-methyl-3-phenylmethoxycyclobutane-1-carboxamide?
The IUPAC name of 1-tert-butyl-N-methoxy-N-methyl-3-phenylmethoxycyclobutane-1-carboxamide (CID 146463485) is 1-tert-butyl-N-methoxy-N-methyl-3-phenylmethoxycyclobutane-1-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-methoxy-N-methyl-3-phenylmethoxycyclobutane-1-carboxamide?
The canonical SMILES for 1-tert-butyl-N-methoxy-N-methyl-3-phenylmethoxycyclobutane-1-carboxamide is CON(C)C(=O)C1(C(C)(C)C)CC(OCc2ccccc2)C1.
What is the InChIKey of 1-tert-butyl-N-methoxy-N-methyl-3-phenylmethoxycyclobutane-1-carboxamide?
The InChIKey is KFHFRKBBZCULOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-17(2,3)18(16(20)19(4)21-5)11-15(12-18)22-13-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3.
What are the key properties of 1-tert-butyl-N-methoxy-N-methyl-3-phenylmethoxycyclobutane-1-carboxamide?
1-tert-butyl-N-methoxy-N-methyl-3-phenylmethoxycyclobutane-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-methoxy-N-methyl-3-phenylmethoxycyclobutane-1-carboxamide is sourced from PubChem (CID 146463485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).