tert-butyl N-[3-[4-(2-hydroxyethyl)-N-methylanilino]propyl]-N-methylcarbamate

C18H30N2O3 — CID 164520133

IUPACtert-butyl N-[3-[4-(2-hydroxyethyl)-N-methylanilino]propyl]-N-methylcarbamate
SMILESCN(CCCN(C)c1ccc(CCO)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H30N2O3/c1-18(2,3)23-17(22)20(5)13-6-12-19(4)16-9-7-15(8-10-16)11-14-21/h7-10,21H,6,11-14H2,1-5H3
InChIKeySNSXBBRDIUTAPS-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.91
Rot. Bonds7

About tert-butyl N-[3-[4-(2-hydroxyethyl)-N-methylanilino]propyl]-N-methylcarbamate

tert-butyl N-[3-[4-(2-hydroxyethyl)-N-methylanilino]propyl]-N-methylcarbamate (PubChem CID 164520133) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[3-[4-(2-hydroxyethyl)-N-methylanilino]propyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[4-(2-hydroxyethyl)-N-methylanilino]propyl]-N-methylcarbamate
PubChem CID164520133
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl N-[3-[4-(2-hydroxyethyl)-N-methylanilino]propyl]-N-methylcarbamate
SMILESCN(CCCN(C)c1ccc(CCO)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H30N2O3/c1-18(2,3)23-17(22)20(5)13-6-12-19(4)16-9-7-15(8-10-16)11-14-21/h7-10,21H,6,11-14H2,1-5H3
InChIKeySNSXBBRDIUTAPS-UHFFFAOYSA-N
XLogP2.91
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]phenyl]boronic acid
CID 58343957
tert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate
CID 10083475
tert-butyl N-[2-(4-isocyanatophenyl)ethyl]-N-methylcarbamate
CID 58108870
tert-butyl N-(3-bromopropyl)-N-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]carbamate
CID 169043183
tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate
CID 25187106
tert-butyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 163409952
tert-butyl N-(9-bromononyl)-N-methylcarbamate
CID 166638484
tert-butyl N-methyl-N-[4-(2-sulfanylphenyl)butyl]carbamate
CID 91391747
tert-butyl N-[2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]ethyl]-N-methylcarbamate
CID 164550044
tert-butyl N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylcarbamate
CID 86781803
tert-butyl N-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate
CID 156839816
tert-butyl N-[2-[4-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 91185994

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-(2-hydroxyethyl)-N-methylanilino]propyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-[4-(2-hydroxyethyl)-N-methylanilino]propyl]-N-methylcarbamate (CID 164520133) is tert-butyl N-[3-[4-(2-hydroxyethyl)-N-methylanilino]propyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[4-(2-hydroxyethyl)-N-methylanilino]propyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-[4-(2-hydroxyethyl)-N-methylanilino]propyl]-N-methylcarbamate is CN(CCCN(C)c1ccc(CCO)cc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[4-(2-hydroxyethyl)-N-methylanilino]propyl]-N-methylcarbamate?
The InChIKey is SNSXBBRDIUTAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-18(2,3)23-17(22)20(5)13-6-12-19(4)16-9-7-15(8-10-16)11-14-21/h7-10,21H,6,11-14H2,1-5H3.
What are the key properties of tert-butyl N-[3-[4-(2-hydroxyethyl)-N-methylanilino]propyl]-N-methylcarbamate?
tert-butyl N-[3-[4-(2-hydroxyethyl)-N-methylanilino]propyl]-N-methylcarbamate has a molecular weight of 322.45 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[4-(2-hydroxyethyl)-N-methylanilino]propyl]-N-methylcarbamate is sourced from PubChem (CID 164520133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).