2-(methylamino)ethyl N-[[3-[[2-(tert-butylamino)ethoxycarbonylamino]methyl]cyclohexyl]methyl]carbamate

C19H38N4O4 — CID 118910888

IUPAC2-(methylamino)ethyl N-[[3-[[2-(tert-butylamino)ethoxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
SMILESCNCCOC(=O)NCC1CCCC(CNC(=O)OCCNC(C)(C)C)C1
InChIInChI=1S/C19H38N4O4/c1-19(2,3)23-9-11-27-18(25)22-14-16-7-5-6-15(12-16)13-21-17(24)26-10-8-20-4/h15-16,20,23H,5-14H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyUCWSUERVJTXTSQ-UHFFFAOYSA-N
MW386.54 g/mol
LogP1.85
Rot. Bonds10

About 2-(methylamino)ethyl N-[[3-[[2-(tert-butylamino)ethoxycarbonylamino]methyl]cyclohexyl]methyl]carbamate

2-(methylamino)ethyl N-[[3-[[2-(tert-butylamino)ethoxycarbonylamino]methyl]cyclohexyl]methyl]carbamate (PubChem CID 118910888) has the molecular formula C19H38N4O4 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-(methylamino)ethyl N-[[3-[[2-(tert-butylamino)ethoxycarbonylamino]methyl]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Name2-(methylamino)ethyl N-[[3-[[2-(tert-butylamino)ethoxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
PubChem CID118910888
Molecular FormulaC19H38N4O4
Molecular Weight386.54 g/mol
Exact Mass386.29
IUPAC Name2-(methylamino)ethyl N-[[3-[[2-(tert-butylamino)ethoxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
SMILESCNCCOC(=O)NCC1CCCC(CNC(=O)OCCNC(C)(C)C)C1
InChIInChI=1S/C19H38N4O4/c1-19(2,3)23-9-11-27-18(25)22-14-16-7-5-6-15(12-16)13-21-17(24)26-10-8-20-4/h15-16,20,23H,5-14H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyUCWSUERVJTXTSQ-UHFFFAOYSA-N
XLogP1.85
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)ethyl N-[[3-[[2-(tert-butylamino)ethoxycarbonylamino]methyl]cyclohexyl]methyl]carbamate?
The IUPAC name of 2-(methylamino)ethyl N-[[3-[[2-(tert-butylamino)ethoxycarbonylamino]methyl]cyclohexyl]methyl]carbamate (CID 118910888) is 2-(methylamino)ethyl N-[[3-[[2-(tert-butylamino)ethoxycarbonylamino]methyl]cyclohexyl]methyl]carbamate.
What is the SMILES notation for 2-(methylamino)ethyl N-[[3-[[2-(tert-butylamino)ethoxycarbonylamino]methyl]cyclohexyl]methyl]carbamate?
The canonical SMILES for 2-(methylamino)ethyl N-[[3-[[2-(tert-butylamino)ethoxycarbonylamino]methyl]cyclohexyl]methyl]carbamate is CNCCOC(=O)NCC1CCCC(CNC(=O)OCCNC(C)(C)C)C1.
What is the InChIKey of 2-(methylamino)ethyl N-[[3-[[2-(tert-butylamino)ethoxycarbonylamino]methyl]cyclohexyl]methyl]carbamate?
The InChIKey is UCWSUERVJTXTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O4/c1-19(2,3)23-9-11-27-18(25)22-14-16-7-5-6-15(12-16)13-21-17(24)26-10-8-20-4/h15-16,20,23H,5-14H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of 2-(methylamino)ethyl N-[[3-[[2-(tert-butylamino)ethoxycarbonylamino]methyl]cyclohexyl]methyl]carbamate?
2-(methylamino)ethyl N-[[3-[[2-(tert-butylamino)ethoxycarbonylamino]methyl]cyclohexyl]methyl]carbamate has a molecular weight of 386.54 g/mol, XLogP of 1.85, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)ethyl N-[[3-[[2-(tert-butylamino)ethoxycarbonylamino]methyl]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 118910888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).