tert-butyl N-[1-[(4-hydroxy-3-methoxyphenyl)methylamino]propan-2-yl]carbamate

C16H26N2O4 — CID 107247978

IUPACtert-butyl N-[1-[(4-hydroxy-3-methoxyphenyl)methylamino]propan-2-yl]carbamate
SMILESCOc1cc(CNCC(C)NC(=O)OC(C)(C)C)ccc1O
InChIInChI=1S/C16H26N2O4/c1-11(18-15(20)22-16(2,3)4)9-17-10-12-6-7-13(19)14(8-12)21-5/h6-8,11,17,19H,9-10H2,1-5H3,(H,18,20)
InChIKeyREPYHWKLDURGOE-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.40
Rot. Bonds6

About tert-butyl N-[1-[(4-hydroxy-3-methoxyphenyl)methylamino]propan-2-yl]carbamate

tert-butyl N-[1-[(4-hydroxy-3-methoxyphenyl)methylamino]propan-2-yl]carbamate (PubChem CID 107247978) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is tert-butyl N-[1-[(4-hydroxy-3-methoxyphenyl)methylamino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(4-hydroxy-3-methoxyphenyl)methylamino]propan-2-yl]carbamate
PubChem CID107247978
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Nametert-butyl N-[1-[(4-hydroxy-3-methoxyphenyl)methylamino]propan-2-yl]carbamate
SMILESCOc1cc(CNCC(C)NC(=O)OC(C)(C)C)ccc1O
InChIInChI=1S/C16H26N2O4/c1-11(18-15(20)22-16(2,3)4)9-17-10-12-6-7-13(19)14(8-12)21-5/h6-8,11,17,19H,9-10H2,1-5H3,(H,18,20)
InChIKeyREPYHWKLDURGOE-UHFFFAOYSA-N
XLogP2.40
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(4-hydroxy-3-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22571735
tert-butyl N-[4-[(3,4-dihydroxyphenyl)methylamino]butan-2-yl]carbamate
CID 102809695
tert-butyl N-[1-[[3-(difluoromethyl)phenyl]methylamino]propan-2-yl]carbamate
CID 107247607
tert-butyl N-[1-[2-(4-hydroxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 18412064
tert-butyl N-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate
CID 103953303
tert-butyl 2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoate
CID 58545613
tert-butyl N-[1-[(3-ethoxy-2-hydroxyphenyl)methylamino]propan-2-yl]carbamate
CID 107247986
tert-butyl N-[4-[(4-hydroxyphenyl)methylamino]butan-2-yl]carbamate
CID 102809694
4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-2-methoxyphenol
CID 114093294
tert-butyl N-[2-[(3-bromo-4-hydroxyphenyl)methylamino]-1-cyclopropylethyl]carbamate
CID 107243963
4-[(2-hydroxypentylamino)methyl]-2-methoxyphenol
CID 115978569
methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzoate
CID 122389859

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(4-hydroxy-3-methoxyphenyl)methylamino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(4-hydroxy-3-methoxyphenyl)methylamino]propan-2-yl]carbamate (CID 107247978) is tert-butyl N-[1-[(4-hydroxy-3-methoxyphenyl)methylamino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(4-hydroxy-3-methoxyphenyl)methylamino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(4-hydroxy-3-methoxyphenyl)methylamino]propan-2-yl]carbamate is COc1cc(CNCC(C)NC(=O)OC(C)(C)C)ccc1O.
What is the InChIKey of tert-butyl N-[1-[(4-hydroxy-3-methoxyphenyl)methylamino]propan-2-yl]carbamate?
The InChIKey is REPYHWKLDURGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-11(18-15(20)22-16(2,3)4)9-17-10-12-6-7-13(19)14(8-12)21-5/h6-8,11,17,19H,9-10H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[1-[(4-hydroxy-3-methoxyphenyl)methylamino]propan-2-yl]carbamate?
tert-butyl N-[1-[(4-hydroxy-3-methoxyphenyl)methylamino]propan-2-yl]carbamate has a molecular weight of 310.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(4-hydroxy-3-methoxyphenyl)methylamino]propan-2-yl]carbamate is sourced from PubChem (CID 107247978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).