tert-butyl N-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]carbamate

C16H23NO4 — CID 56636050

IUPACtert-butyl N-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C2(C)OCCO2)cc1
InChIInChI=1S/C16H23NO4/c1-15(2,3)21-14(18)17-11-12-5-7-13(8-6-12)16(4)19-9-10-20-16/h5-8H,9-11H2,1-4H3,(H,17,18)
InChIKeyFHKWNCMIJPZNQO-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.93
Rot. Bonds3

About tert-butyl N-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]carbamate

tert-butyl N-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]carbamate (PubChem CID 56636050) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is tert-butyl N-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]carbamate
PubChem CID56636050
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nametert-butyl N-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C2(C)OCCO2)cc1
InChIInChI=1S/C16H23NO4/c1-15(2,3)21-14(18)17-11-12-5-7-13(8-6-12)16(4)19-9-10-20-16/h5-8H,9-11H2,1-4H3,(H,17,18)
InChIKeyFHKWNCMIJPZNQO-UHFFFAOYSA-N
XLogP2.93
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-methyl-N-[3-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methylcarbamoyl]cyclobutyl]carbamate
CID 138007685
tert-butyl N-[[4-[(2S)-2-amino-3-[(2R)-2-methyloxiran-2-yl]-3-oxopropyl]phenyl]methyl]carbamate
CID 71562241
tert-butyl N-[(4-ethenylphenyl)methyl]carbamate
CID 86169082
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate
CID 156874052
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
tert-butyl N-[[4-[(S)-methylsulfinyl]phenyl]methyl]carbamate
CID 95974235
methanidyl-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]azanium
CID 87107169
tert-butyl N-[[4-(cyanomethyl)phenyl]methyl]carbamate
CID 131850271
tert-butyl N-[[4-[(diaminoamino)methyl]phenyl]methyl]carbamate
CID 166772321
tert-butyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoate
CID 164529549
tert-butyl N-[[4-[(2-ethoxyethylamino)methyl]phenyl]methyl]carbamate
CID 143202067

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]carbamate (CID 56636050) is tert-butyl N-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(C2(C)OCCO2)cc1.
What is the InChIKey of tert-butyl N-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]carbamate?
The InChIKey is FHKWNCMIJPZNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-15(2,3)21-14(18)17-11-12-5-7-13(8-6-12)16(4)19-9-10-20-16/h5-8H,9-11H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]carbamate?
tert-butyl N-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]carbamate has a molecular weight of 293.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]carbamate is sourced from PubChem (CID 56636050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).