tert-butyl N-[3-methoxy-5-(propoxymethyl)phenyl]carbamate

C16H25NO4 — CID 175379574

IUPACtert-butyl N-[3-methoxy-5-(propoxymethyl)phenyl]carbamate
SMILESCCCOCc1cc(NC(=O)OC(C)(C)C)cc(OC)c1
InChIInChI=1S/C16H25NO4/c1-6-7-20-11-12-8-13(10-14(9-12)19-5)17-15(18)21-16(2,3)4/h8-10H,6-7,11H2,1-5H3,(H,17,18)
InChIKeyMAHLVRFHUFPPAZ-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.97
Rot. Bonds6

About tert-butyl N-[3-methoxy-5-(propoxymethyl)phenyl]carbamate

tert-butyl N-[3-methoxy-5-(propoxymethyl)phenyl]carbamate (PubChem CID 175379574) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl N-[3-methoxy-5-(propoxymethyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methoxy-5-(propoxymethyl)phenyl]carbamate
PubChem CID175379574
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Nametert-butyl N-[3-methoxy-5-(propoxymethyl)phenyl]carbamate
SMILESCCCOCc1cc(NC(=O)OC(C)(C)C)cc(OC)c1
InChIInChI=1S/C16H25NO4/c1-6-7-20-11-12-8-13(10-14(9-12)19-5)17-15(18)21-16(2,3)4/h8-10H,6-7,11H2,1-5H3,(H,17,18)
InChIKeyMAHLVRFHUFPPAZ-UHFFFAOYSA-N
XLogP3.97
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[3-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate
CID 68843601
[3-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] methanesulfonate
CID 90159633
tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate
CID 134964726
tert-butyl N-[1-[[3-cyano-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methoxy]propan-2-yl]carbamate
CID 167100847
tert-butyl N-[3-[(2-hydroxy-4-methoxyphenyl)methyl]phenyl]carbamate
CID 140869030
tert-butyl N-(3-ethyl-5-formamidophenyl)carbamate
CID 144969625
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-[4-chloro-3-(2-propoxyethoxy)phenyl]carbamate
CID 163546426
tert-butyl N-[3-chloro-5-(chloromethyl)phenyl]carbamate
CID 117236621
tert-butyl N-[3-(2-oxobutyl)phenyl]carbamate
CID 158977134
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methoxy-5-(propoxymethyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-methoxy-5-(propoxymethyl)phenyl]carbamate (CID 175379574) is tert-butyl N-[3-methoxy-5-(propoxymethyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methoxy-5-(propoxymethyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-methoxy-5-(propoxymethyl)phenyl]carbamate is CCCOCc1cc(NC(=O)OC(C)(C)C)cc(OC)c1.
What is the InChIKey of tert-butyl N-[3-methoxy-5-(propoxymethyl)phenyl]carbamate?
The InChIKey is MAHLVRFHUFPPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-6-7-20-11-12-8-13(10-14(9-12)19-5)17-15(18)21-16(2,3)4/h8-10H,6-7,11H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[3-methoxy-5-(propoxymethyl)phenyl]carbamate?
tert-butyl N-[3-methoxy-5-(propoxymethyl)phenyl]carbamate has a molecular weight of 295.38 g/mol, XLogP of 3.97, 6 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-5-(propoxymethyl)phenyl]carbamate is sourced from PubChem (CID 175379574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).