tert-butyl N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate

C22H36N2O3 — CID 68614271

IUPACtert-butyl N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate
SMILESC=CCN(C)CCCCCCOc1ccc(N(C)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C22H36N2O3/c1-7-16-23(5)17-10-8-9-11-18-26-20-14-12-19(13-15-20)24(6)21(25)27-22(2,3)4/h7,12-15H,1,8-11,16-18H2,2-6H3
InChIKeyCCQRMYUBNPZMGN-UHFFFAOYSA-N
MW376.54 g/mol
LogP5.11
Rot. Bonds11

About tert-butyl N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate

tert-butyl N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate (PubChem CID 68614271) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate
PubChem CID68614271
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC Nametert-butyl N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate
SMILESC=CCN(C)CCCCCCOc1ccc(N(C)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C22H36N2O3/c1-7-16-23(5)17-10-8-9-11-18-26-20-14-12-19(13-15-20)24(6)21(25)27-22(2,3)4/h7,12-15H,1,8-11,16-18H2,2-6H3
InChIKeyCCQRMYUBNPZMGN-UHFFFAOYSA-N
XLogP5.11
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl) N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate
CID 68615610
(4-bromophenyl) N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate
CID 68614365
2-methylpropyl N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate
CID 68615144
methyl 2-[[methyl-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamoyl]-sulfanylamino]acetate
CID 87515888
[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone
CID 10981049
[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone;hydrobromide
CID 45261576
1-methyl-1-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-3-phenylthiourea
CID 23446596
4-tert-butyl-N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]benzenesulfonamide
CID 23446635
N-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine
CID 141046921
(4-bromophenyl)-[4-[4-[methyl(prop-2-enyl)amino]butoxy]phenyl]methanone
CID 19043715
5-fluoro-N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-1H-indole-2-carboxamide
CID 90990305
(4-bromophenyl)-[4-[4-[methyl(prop-2-enyl)amino]butoxy]phenyl]methanone;hydrobromide
CID 19043714

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate (CID 68614271) is tert-butyl N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate is C=CCN(C)CCCCCCOc1ccc(N(C)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate?
The InChIKey is CCQRMYUBNPZMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3/c1-7-16-23(5)17-10-8-9-11-18-26-20-14-12-19(13-15-20)24(6)21(25)27-22(2,3)4/h7,12-15H,1,8-11,16-18H2,2-6H3.
What are the key properties of tert-butyl N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate?
tert-butyl N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate has a molecular weight of 376.54 g/mol, XLogP of 5.11, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate is sourced from PubChem (CID 68614271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).