(4-tert-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate

C16H21NO3 — CID 157101852

IUPAC(4-tert-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate
SMILESCC(C)(C)c1ccc(COC(=O)N[C@H]2CCC2=O)cc1
InChIInChI=1S/C16H21NO3/c1-16(2,3)12-6-4-11(5-7-12)10-20-15(19)17-13-8-9-14(13)18/h4-7,13H,8-10H2,1-3H3,(H,17,19)/t13-/m0/s1
InChIKeyFEVWYERKPBNZIW-ZDUSSCGKSA-N
MW275.35 g/mol
LogP2.94
Rot. Bonds3

About (4-tert-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate

(4-tert-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate (PubChem CID 157101852) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (4-tert-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate.

Molecular Properties

Compound Name(4-tert-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate
PubChem CID157101852
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(4-tert-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate
SMILESCC(C)(C)c1ccc(COC(=O)N[C@H]2CCC2=O)cc1
InChIInChI=1S/C16H21NO3/c1-16(2,3)12-6-4-11(5-7-12)10-20-15(19)17-13-8-9-14(13)18/h4-7,13H,8-10H2,1-3H3,(H,17,19)/t13-/m0/s1
InChIKeyFEVWYERKPBNZIW-ZDUSSCGKSA-N
XLogP2.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-propylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate
CID 158795874
benzyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 14219049
ethyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 10856185
(4-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate;decyl N-[(1S)-2-oxocyclobutyl]carbamate;4-(2-methylphenyl)butyl N-[(1S)-2-oxocyclobutyl]carbamate;nonyl N-[(1S)-2-oxocyclobutyl]carbamate;2-phenylethyl N-[(1S)-2-oxocyclobutyl]carbamate;3-phenylpropyl N-[(1S)-2-oxocyclobutyl]carbamate
CID 157395277
tert-butyl (3S)-2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
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cyclohexa-1,5-dien-1-ylmethyl N-(2-oxocyclohexyl)carbamate
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benzyl N-[(1R)-4-bromo-7-oxocyclohept-3-en-1-yl]carbamate
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(4-tert-butylphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate
CID 170086914
benzyl N-(7-methyl-2,3-dihydro-1H-inden-1-yl)carbamate
CID 167740174
benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
CID 58782089
(4-cyclohexylphenyl)methyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate
CID 86281286
benzyl N-(7,9-ditert-butyl-2,8-dioxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl)carbamate
CID 10764861

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate?
The IUPAC name of (4-tert-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate (CID 157101852) is (4-tert-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate.
What is the SMILES notation for (4-tert-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate?
The canonical SMILES for (4-tert-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate is CC(C)(C)c1ccc(COC(=O)N[C@H]2CCC2=O)cc1.
What is the InChIKey of (4-tert-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate?
The InChIKey is FEVWYERKPBNZIW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21NO3/c1-16(2,3)12-6-4-11(5-7-12)10-20-15(19)17-13-8-9-14(13)18/h4-7,13H,8-10H2,1-3H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (4-tert-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate?
(4-tert-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate has a molecular weight of 275.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate is sourced from PubChem (CID 157101852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).