tert-butyl N-[2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]cyclopropyl]carbamate

C17H26N2O4 — CID 107238193

IUPACtert-butyl N-[2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]cyclopropyl]carbamate
SMILESCOc1cc(C(C)NC2CC2NC(=O)OC(C)(C)C)ccc1O
InChIInChI=1S/C17H26N2O4/c1-10(11-6-7-14(20)15(8-11)22-5)18-12-9-13(12)19-16(21)23-17(2,3)4/h6-8,10,12-13,18,20H,9H2,1-5H3,(H,19,21)
InChIKeyHLTSCYOKLALUMX-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.72
Rot. Bonds5

About tert-butyl N-[2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]cyclopropyl]carbamate

tert-butyl N-[2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]cyclopropyl]carbamate (PubChem CID 107238193) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]cyclopropyl]carbamate
PubChem CID107238193
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Nametert-butyl N-[2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]cyclopropyl]carbamate
SMILESCOc1cc(C(C)NC2CC2NC(=O)OC(C)(C)C)ccc1O
InChIInChI=1S/C17H26N2O4/c1-10(11-6-7-14(20)15(8-11)22-5)18-12-9-13(12)19-16(21)23-17(2,3)4/h6-8,10,12-13,18,20H,9H2,1-5H3,(H,19,21)
InChIKeyHLTSCYOKLALUMX-UHFFFAOYSA-N
XLogP2.72
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopropyl]carbamate
CID 107237507
tert-butyl N-[2-[1-(2,4-dihydroxyphenyl)ethylamino]cyclopropyl]carbamate
CID 107237842
tert-butyl N-[2-[1-(2-chlorophenyl)ethylamino]cyclopropyl]carbamate
CID 107238238
tert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate
CID 107237572
tert-butyl N-[2-(1-pyrazin-2-ylethylamino)cyclopropyl]carbamate
CID 107237510
tert-butyl N-[2-[1-(1-benzothiophen-2-yl)ethylamino]cyclopropyl]carbamate
CID 107238045
tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate
CID 103790111
4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol
CID 106359770
tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]cyclopropyl]carbamate
CID 107238280
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2-methylpropanamide
CID 61210890
4-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methoxyphenol
CID 114629015
4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol
CID 43752358

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]cyclopropyl]carbamate (CID 107238193) is tert-butyl N-[2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]cyclopropyl]carbamate is COc1cc(C(C)NC2CC2NC(=O)OC(C)(C)C)ccc1O.
What is the InChIKey of tert-butyl N-[2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]cyclopropyl]carbamate?
The InChIKey is HLTSCYOKLALUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-10(11-6-7-14(20)15(8-11)22-5)18-12-9-13(12)19-16(21)23-17(2,3)4/h6-8,10,12-13,18,20H,9H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]cyclopropyl]carbamate?
tert-butyl N-[2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]cyclopropyl]carbamate has a molecular weight of 322.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]cyclopropyl]carbamate is sourced from PubChem (CID 107238193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).