1-(methoxymethyl)-N-(2-phenylmethoxyethyl)cyclobutane-1-carboxamide

C16H23NO3 — CID 74250053

IUPAC1-(methoxymethyl)-N-(2-phenylmethoxyethyl)cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)NCCOCc2ccccc2)CCC1
InChIInChI=1S/C16H23NO3/c1-19-13-16(8-5-9-16)15(18)17-10-11-20-12-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H,17,18)
InChIKeyJOPIJNVJHFGXSG-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.14
Rot. Bonds8

About 1-(methoxymethyl)-N-(2-phenylmethoxyethyl)cyclobutane-1-carboxamide

1-(methoxymethyl)-N-(2-phenylmethoxyethyl)cyclobutane-1-carboxamide (PubChem CID 74250053) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-(methoxymethyl)-N-(2-phenylmethoxyethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(methoxymethyl)-N-(2-phenylmethoxyethyl)cyclobutane-1-carboxamide
PubChem CID74250053
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-(methoxymethyl)-N-(2-phenylmethoxyethyl)cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)NCCOCc2ccccc2)CCC1
InChIInChI=1S/C16H23NO3/c1-19-13-16(8-5-9-16)15(18)17-10-11-20-12-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H,17,18)
InChIKeyJOPIJNVJHFGXSG-UHFFFAOYSA-N
XLogP2.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-octadecyl-3-phenylmethoxypropanamide
CID 44392622
N-[(2S)-1-(octylamino)-1-oxo-3-phenylmethoxypropan-2-yl]octanamide
CID 44394208
cyclo[N(Me)Ala-N(Me)Ala-D-Ser(Bn)-D-aIle-N(Me)Ala-N(Me)Leu-Leu]
CID 44568867
3-methyl-1-(2-phenylmethoxyacetyl)-N-propylpyrrolidine-3-carboxamide
CID 49795125
benzyl N-[(3R)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate
CID 6918598
benzyl N-[(3S)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate
CID 9948941
N-[(2R,4R)-1,4-dimethoxy-4-phenylbutan-2-yl]dodecanamide
CID 10872865
(3S,6S)-3-[(benzyloxy)methyl]-6-isobutylpiperazine-2,5-dione
CID 44398495
N-ethyl-3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxamide
CID 46943031
N-(2-methoxy-2-phenylbutyl)cyclobutanecarboxamide
CID 71810720
(3S,6S)-3-butan-2-yl-6-(phenylmethoxymethyl)piperazine-2,5-dione
CID 155546296
(3S,6S)-3-(phenylmethoxymethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 155566344

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-N-(2-phenylmethoxyethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(methoxymethyl)-N-(2-phenylmethoxyethyl)cyclobutane-1-carboxamide (CID 74250053) is 1-(methoxymethyl)-N-(2-phenylmethoxyethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(methoxymethyl)-N-(2-phenylmethoxyethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(methoxymethyl)-N-(2-phenylmethoxyethyl)cyclobutane-1-carboxamide is COCC1(C(=O)NCCOCc2ccccc2)CCC1.
What is the InChIKey of 1-(methoxymethyl)-N-(2-phenylmethoxyethyl)cyclobutane-1-carboxamide?
The InChIKey is JOPIJNVJHFGXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-19-13-16(8-5-9-16)15(18)17-10-11-20-12-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H,17,18).
What are the key properties of 1-(methoxymethyl)-N-(2-phenylmethoxyethyl)cyclobutane-1-carboxamide?
1-(methoxymethyl)-N-(2-phenylmethoxyethyl)cyclobutane-1-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-N-(2-phenylmethoxyethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 74250053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).