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

C15H19NO3 — CID 158795874

IUPAC(4-propylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate
SMILESCCCc1ccc(COC(=O)N[C@H]2CCC2=O)cc1
InChIInChI=1S/C15H19NO3/c1-2-3-11-4-6-12(7-5-11)10-19-15(18)16-13-8-9-14(13)17/h4-7,13H,2-3,8-10H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyISVXHGSTSUZVIA-ZDUSSCGKSA-N
MW261.32 g/mol
LogP2.60
Rot. Bonds5

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

(4-propylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate (PubChem CID 158795874) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (4-propylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate.

Molecular Properties

Compound Name(4-propylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate
PubChem CID158795874
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(4-propylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate
SMILESCCCc1ccc(COC(=O)N[C@H]2CCC2=O)cc1
InChIInChI=1S/C15H19NO3/c1-2-3-11-4-6-12(7-5-11)10-19-15(18)16-13-8-9-14(13)17/h4-7,13H,2-3,8-10H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyISVXHGSTSUZVIA-ZDUSSCGKSA-N
XLogP2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate
CID 157101852
benzyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 14219049
(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
ethyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 10856185
octyl N-[(1S)-2-oxocyclobutyl]carbamate
CID 147728041
cyclohexa-1,5-dien-1-ylmethyl N-(2-oxocyclohexyl)carbamate
CID 143473828
benzyl N-[(1R)-4-bromo-7-oxocyclohept-3-en-1-yl]carbamate
CID 59587818
benzyl N-(7-methyl-2,3-dihydro-1H-inden-1-yl)carbamate
CID 167740174
N-[(1S)-2-oxocyclobutyl]-5-phenylpentanamide
CID 158433949
tert-butyl (3S)-2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 11290557
N-(2,6-dioxopiperidin-3-yl)-4-propylbenzamide
CID 168945690
benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
CID 58782089

Frequently Asked Questions

What is the IUPAC name of (4-propylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate?
The IUPAC name of (4-propylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate (CID 158795874) is (4-propylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate.
What is the SMILES notation for (4-propylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate?
The canonical SMILES for (4-propylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate is CCCc1ccc(COC(=O)N[C@H]2CCC2=O)cc1.
What is the InChIKey of (4-propylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate?
The InChIKey is ISVXHGSTSUZVIA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-3-11-4-6-12(7-5-11)10-19-15(18)16-13-8-9-14(13)17/h4-7,13H,2-3,8-10H2,1H3,(H,16,18)/t13-/m0/s1.
What are the key properties of (4-propylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate?
(4-propylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate has a molecular weight of 261.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylphenyl)methyl N-[(1S)-2-oxocyclobutyl]carbamate is sourced from PubChem (CID 158795874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).