N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]acetamide

C14H19NO2 — CID 58853078

IUPACN-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]acetamide
SMILESCC(=O)N[C@@]1(C)CCC1OCc1ccccc1
InChIInChI=1S/C14H19NO2/c1-11(16)15-14(2)9-8-13(14)17-10-12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3,(H,15,16)/t13?,14-/m0/s1
InChIKeyUEKALMVQTXTIDL-KZUDCZAMSA-N
MW233.31 g/mol
LogP2.26
Rot. Bonds4

About N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]acetamide

N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]acetamide (PubChem CID 58853078) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]acetamide
PubChem CID58853078
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]acetamide
SMILESCC(=O)N[C@@]1(C)CCC1OCc1ccccc1
InChIInChI=1S/C14H19NO2/c1-11(16)15-14(2)9-8-13(14)17-10-12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3,(H,15,16)/t13?,14-/m0/s1
InChIKeyUEKALMVQTXTIDL-KZUDCZAMSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]acetamide?
The IUPAC name of N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]acetamide (CID 58853078) is N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]acetamide.
What is the SMILES notation for N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]acetamide?
The canonical SMILES for N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]acetamide is CC(=O)N[C@@]1(C)CCC1OCc1ccccc1.
What is the InChIKey of N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]acetamide?
The InChIKey is UEKALMVQTXTIDL-KZUDCZAMSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(16)15-14(2)9-8-13(14)17-10-12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3,(H,15,16)/t13?,14-/m0/s1.
What are the key properties of N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]acetamide?
N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]acetamide has a molecular weight of 233.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]acetamide is sourced from PubChem (CID 58853078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).