tert-butyl N-[3-[2-(2-hydroxyethylamino)phenyl]propyl]carbamate

C16H26N2O3 — CID 123143474

IUPACtert-butyl N-[3-[2-(2-hydroxyethylamino)phenyl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCc1ccccc1NCCO
InChIInChI=1S/C16H26N2O3/c1-16(2,3)21-15(20)18-10-6-8-13-7-4-5-9-14(13)17-11-12-19/h4-5,7,9,17,19H,6,8,10-12H2,1-3H3,(H,18,20)
InChIKeyFDESWECXEUXKHX-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.55
Rot. Bonds7

About tert-butyl N-[3-[2-(2-hydroxyethylamino)phenyl]propyl]carbamate

tert-butyl N-[3-[2-(2-hydroxyethylamino)phenyl]propyl]carbamate (PubChem CID 123143474) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(2-hydroxyethylamino)phenyl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(2-hydroxyethylamino)phenyl]propyl]carbamate
PubChem CID123143474
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Nametert-butyl N-[3-[2-(2-hydroxyethylamino)phenyl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCc1ccccc1NCCO
InChIInChI=1S/C16H26N2O3/c1-16(2,3)21-15(20)18-10-6-8-13-7-4-5-9-14(13)17-11-12-19/h4-5,7,9,17,19H,6,8,10-12H2,1-3H3,(H,18,20)
InChIKeyFDESWECXEUXKHX-UHFFFAOYSA-N
XLogP2.55
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate
CID 23021010
tert-butyl N-[2-[2-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 141182923
tert-butyl N-[3-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]propyl]carbamate
CID 58241890
2-(2-butylanilino)ethanol
CID 139597188
tert-butyl N-[3-(2-phenylanilino)propyl]carbamate
CID 113269142
tert-butyl N-[[2-(pentylamino)phenyl]methyl]carbamate
CID 107247163
2-(2-nonylanilino)ethanol
CID 160982770
tert-butyl N-[[2-(heptylamino)phenyl]methyl]carbamate
CID 107247253
tert-butyl N-[3-[2-[(2R)-butan-2-yl]oxyphenyl]propyl]carbamate
CID 134451823
tert-butyl N-[[2-(3-methylbutylamino)phenyl]methyl]carbamate
CID 107247162
tert-butyl N-[[2-(prop-2-ynylamino)phenyl]methyl]carbamate
CID 107247229
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]quinoline-2-carboxylic acid
CID 157399195

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(2-hydroxyethylamino)phenyl]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(2-hydroxyethylamino)phenyl]propyl]carbamate (CID 123143474) is tert-butyl N-[3-[2-(2-hydroxyethylamino)phenyl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(2-hydroxyethylamino)phenyl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(2-hydroxyethylamino)phenyl]propyl]carbamate is CC(C)(C)OC(=O)NCCCc1ccccc1NCCO.
What is the InChIKey of tert-butyl N-[3-[2-(2-hydroxyethylamino)phenyl]propyl]carbamate?
The InChIKey is FDESWECXEUXKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(2,3)21-15(20)18-10-6-8-13-7-4-5-9-14(13)17-11-12-19/h4-5,7,9,17,19H,6,8,10-12H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[3-[2-(2-hydroxyethylamino)phenyl]propyl]carbamate?
tert-butyl N-[3-[2-(2-hydroxyethylamino)phenyl]propyl]carbamate has a molecular weight of 294.39 g/mol, XLogP of 2.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(2-hydroxyethylamino)phenyl]propyl]carbamate is sourced from PubChem (CID 123143474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).