tert-butyl N-[3-methoxy-4-(2-oxobutyl)phenyl]carbamate

C16H23NO4 — CID 174313293

IUPACtert-butyl N-[3-methoxy-4-(2-oxobutyl)phenyl]carbamate
SMILESCCC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1OC
InChIInChI=1S/C16H23NO4/c1-6-13(18)9-11-7-8-12(10-14(11)20-5)17-15(19)21-16(2,3)4/h7-8,10H,6,9H2,1-5H3,(H,17,19)
InChIKeyAJZQZKJRMXMVDV-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.56
Rot. Bonds5

About tert-butyl N-[3-methoxy-4-(2-oxobutyl)phenyl]carbamate

tert-butyl N-[3-methoxy-4-(2-oxobutyl)phenyl]carbamate (PubChem CID 174313293) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is tert-butyl N-[3-methoxy-4-(2-oxobutyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methoxy-4-(2-oxobutyl)phenyl]carbamate
PubChem CID174313293
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nametert-butyl N-[3-methoxy-4-(2-oxobutyl)phenyl]carbamate
SMILESCCC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1OC
InChIInChI=1S/C16H23NO4/c1-6-13(18)9-11-7-8-12(10-14(11)20-5)17-15(19)21-16(2,3)4/h7-8,10H,6,9H2,1-5H3,(H,17,19)
InChIKeyAJZQZKJRMXMVDV-UHFFFAOYSA-N
XLogP3.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(hydroxymethyl)-3-methoxyphenyl]carbamate
CID 117236522
tert-butyl N-[3-(2-oxobutyl)phenyl]carbamate
CID 158977134
tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 65143046
2-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 125456654
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl N-[4-(aminomethyl)-3-chlorophenyl]carbamate
CID 22467470
tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate
CID 63755474
methyl 2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 166872941
tert-butyl N-[3-(chloromethyl)-4-ethoxyphenyl]carbamate
CID 114302920
tert-butyl N-[3-(hydroxymethyl)-4-methylphenyl]carbamate
CID 58614987
tert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate
CID 53221133
tert-butyl N-[2-methoxy-4-(2-methylbutylamino)phenyl]carbamate
CID 103776035

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methoxy-4-(2-oxobutyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-methoxy-4-(2-oxobutyl)phenyl]carbamate (CID 174313293) is tert-butyl N-[3-methoxy-4-(2-oxobutyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methoxy-4-(2-oxobutyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-methoxy-4-(2-oxobutyl)phenyl]carbamate is CCC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1OC.
What is the InChIKey of tert-butyl N-[3-methoxy-4-(2-oxobutyl)phenyl]carbamate?
The InChIKey is AJZQZKJRMXMVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-6-13(18)9-11-7-8-12(10-14(11)20-5)17-15(19)21-16(2,3)4/h7-8,10H,6,9H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[3-methoxy-4-(2-oxobutyl)phenyl]carbamate?
tert-butyl N-[3-methoxy-4-(2-oxobutyl)phenyl]carbamate has a molecular weight of 293.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methoxy-4-(2-oxobutyl)phenyl]carbamate is sourced from PubChem (CID 174313293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).