tert-butyl N-[3-(4-amino-3-methoxyphenoxy)propyl]carbamate

C15H24N2O4 — CID 164576734

IUPACtert-butyl N-[3-(4-amino-3-methoxyphenoxy)propyl]carbamate
SMILESCOc1cc(OCCCNC(=O)OC(C)(C)C)ccc1N
InChIInChI=1S/C15H24N2O4/c1-15(2,3)21-14(18)17-8-5-9-20-11-6-7-12(16)13(10-11)19-4/h6-7,10H,5,8-9,16H2,1-4H3,(H,17,18)
InChIKeyGJDYNTGCNDRVBS-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.57
Rot. Bonds6

About tert-butyl N-[3-(4-amino-3-methoxyphenoxy)propyl]carbamate

tert-butyl N-[3-(4-amino-3-methoxyphenoxy)propyl]carbamate (PubChem CID 164576734) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl N-[3-(4-amino-3-methoxyphenoxy)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-amino-3-methoxyphenoxy)propyl]carbamate
PubChem CID164576734
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl N-[3-(4-amino-3-methoxyphenoxy)propyl]carbamate
SMILESCOc1cc(OCCCNC(=O)OC(C)(C)C)ccc1N
InChIInChI=1S/C15H24N2O4/c1-15(2,3)21-14(18)17-8-5-9-20-11-6-7-12(16)13(10-11)19-4/h6-7,10H,5,8-9,16H2,1-4H3,(H,17,18)
InChIKeyGJDYNTGCNDRVBS-UHFFFAOYSA-N
XLogP2.57
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(4-amino-3-chlorophenoxy)ethyl]carbamate
CID 134180761
tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate
CID 177233914
4-(2-methoxyethoxy)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoic acid
CID 68831637
tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate
CID 22981165
methyl 2-amino-4-methoxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate
CID 164580250
methyl 2-hydroxy-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate
CID 3316729
2-methyl-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoic acid
CID 70846052
methyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate
CID 67283586
tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate
CID 139950407
tert-butyl N-[3-(2-amino-4-cyanophenoxy)propyl]carbamate
CID 130270700
tert-butyl N-[3-(3-bromophenoxy)propyl]carbamate
CID 68922177
tert-butyl N-[2-(3-chloro-4,5-dimethoxyphenoxy)ethyl]carbamate
CID 142702396

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-amino-3-methoxyphenoxy)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-amino-3-methoxyphenoxy)propyl]carbamate (CID 164576734) is tert-butyl N-[3-(4-amino-3-methoxyphenoxy)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-amino-3-methoxyphenoxy)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-amino-3-methoxyphenoxy)propyl]carbamate is COc1cc(OCCCNC(=O)OC(C)(C)C)ccc1N.
What is the InChIKey of tert-butyl N-[3-(4-amino-3-methoxyphenoxy)propyl]carbamate?
The InChIKey is GJDYNTGCNDRVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(2,3)21-14(18)17-8-5-9-20-11-6-7-12(16)13(10-11)19-4/h6-7,10H,5,8-9,16H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[3-(4-amino-3-methoxyphenoxy)propyl]carbamate?
tert-butyl N-[3-(4-amino-3-methoxyphenoxy)propyl]carbamate has a molecular weight of 296.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-amino-3-methoxyphenoxy)propyl]carbamate is sourced from PubChem (CID 164576734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).