2-methoxyethyl N-[1-[2-[di(tetradecyl)amino]ethylamino]-6-(2-methoxyethoxycarbonylamino)-1-oxohexan-2-yl]carbamate

C44H88N4O7 — CID 176762728

IUPAC2-methoxyethyl N-[1-[2-[di(tetradecyl)amino]ethylamino]-6-(2-methoxyethoxycarbonylamino)-1-oxohexan-2-yl]carbamate
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCNC(=O)C(CCCCNC(=O)OCCOC)NC(=O)OCCOC
InChIInChI=1S/C44H88N4O7/c1-5-7-9-11-13-15-17-19-21-23-25-29-34-48(35-30-26-24-22-20-18-16-14-12-10-8-6-2)36-33-45-42(49)41(47-44(51)55-40-38-53-4)31-27-28-32-46-43(50)54-39-37-52-3/h41H,5-40H2,1-4H3,(H,45,49)(H,46,50)(H,47,51)
InChIKeyJPIRGTRZRJKYBO-UHFFFAOYSA-N
MW785.21 g/mol
LogP10.09
Rot. Bonds42

About 2-methoxyethyl N-[1-[2-[di(tetradecyl)amino]ethylamino]-6-(2-methoxyethoxycarbonylamino)-1-oxohexan-2-yl]carbamate

2-methoxyethyl N-[1-[2-[di(tetradecyl)amino]ethylamino]-6-(2-methoxyethoxycarbonylamino)-1-oxohexan-2-yl]carbamate (PubChem CID 176762728) has the molecular formula C44H88N4O7 and a molecular weight of 785.21 g/mol. Its IUPAC name is 2-methoxyethyl N-[1-[2-[di(tetradecyl)amino]ethylamino]-6-(2-methoxyethoxycarbonylamino)-1-oxohexan-2-yl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[1-[2-[di(tetradecyl)amino]ethylamino]-6-(2-methoxyethoxycarbonylamino)-1-oxohexan-2-yl]carbamate
PubChem CID176762728
Molecular FormulaC44H88N4O7
Molecular Weight785.21 g/mol
Exact Mass784.67
IUPAC Name2-methoxyethyl N-[1-[2-[di(tetradecyl)amino]ethylamino]-6-(2-methoxyethoxycarbonylamino)-1-oxohexan-2-yl]carbamate
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCNC(=O)C(CCCCNC(=O)OCCOC)NC(=O)OCCOC
InChIInChI=1S/C44H88N4O7/c1-5-7-9-11-13-15-17-19-21-23-25-29-34-48(35-30-26-24-22-20-18-16-14-12-10-8-6-2)36-33-45-42(49)41(47-44(51)55-40-38-53-4)31-27-28-32-46-43(50)54-39-37-52-3/h41H,5-40H2,1-4H3,(H,45,49)(H,46,50)(H,47,51)
InChIKeyJPIRGTRZRJKYBO-UHFFFAOYSA-N
XLogP10.09
TPSA127.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds42
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.21
LogP ≤ 510.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-methoxyethyl N-[1-[2-[di(tetradecyl)amino]ethylamino]-6-(2-methoxyethoxycarbonylamino)-1-oxohexan-2-yl]carbamate with MolForge

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Related Compounds

hexadecyl N-[(2S)-6-amino-1-(octylamino)-1-oxohexan-2-yl]carbamate
CID 135363859
tert-butyl N-[(2S)-6-amino-1-[2-[di(tetradecyl)amino]ethylamino]-1-oxohexan-2-yl]carbamate
CID 123484392
2-(dibutylamino)ethyl N-[6-[2-(dibutylamino)ethoxycarbonylamino]hexyl]carbamate
CID 59782278
methyl N-[1-(4-methoxybutylamino)-6-(methoxycarbonylamino)-1-oxohexan-2-yl]carbamate
CID 89290011
2-methoxyethyl N-[4-[di(tetradecyl)amino]-4-oxobutyl]carbamate
CID 171607237
CID 59483326
CID 59483326
N-[(2S)-6-amino-1-oxo-1-(tetradecylamino)hexan-2-yl]-N'-[2-[bis(2-aminoethyl)amino]ethyl]-2-tetradecylpropanediamide
CID 102434568
prop-2-enyl 2-(octoxycarbonylamino)-6-[4-[[5-(octoxycarbonylamino)-6-oxo-6-prop-2-enoxyhexyl]carbamoyloxy]butoxycarbonylamino]hexanoate
CID 58225453
4-[2,6-bis[2-(2-methoxyethoxy)ethoxycarbonylamino]hexanoylamino]butyl methyl phosphate;methane
CID 159356747
methyl N-[2-[bis[2-(butylcarbamoyloxy)ethyl]amino]ethyl]carbamate;hydrochloride
CID 88513482
hexadecyl 2-(2-methoxyethoxycarbonylamino)pentanoate
CID 91726559
heptyl 2-(2-methoxyethoxycarbonylamino)pentanoate
CID 91726565

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[1-[2-[di(tetradecyl)amino]ethylamino]-6-(2-methoxyethoxycarbonylamino)-1-oxohexan-2-yl]carbamate?
The IUPAC name of 2-methoxyethyl N-[1-[2-[di(tetradecyl)amino]ethylamino]-6-(2-methoxyethoxycarbonylamino)-1-oxohexan-2-yl]carbamate (CID 176762728) is 2-methoxyethyl N-[1-[2-[di(tetradecyl)amino]ethylamino]-6-(2-methoxyethoxycarbonylamino)-1-oxohexan-2-yl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[1-[2-[di(tetradecyl)amino]ethylamino]-6-(2-methoxyethoxycarbonylamino)-1-oxohexan-2-yl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[1-[2-[di(tetradecyl)amino]ethylamino]-6-(2-methoxyethoxycarbonylamino)-1-oxohexan-2-yl]carbamate is CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCNC(=O)C(CCCCNC(=O)OCCOC)NC(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl N-[1-[2-[di(tetradecyl)amino]ethylamino]-6-(2-methoxyethoxycarbonylamino)-1-oxohexan-2-yl]carbamate?
The InChIKey is JPIRGTRZRJKYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H88N4O7/c1-5-7-9-11-13-15-17-19-21-23-25-29-34-48(35-30-26-24-22-20-18-16-14-12-10-8-6-2)36-33-45-42(49)41(47-44(51)55-40-38-53-4)31-27-28-32-46-43(50)54-39-37-52-3/h41H,5-40H2,1-4H3,(H,45,49)(H,46,50)(H,47,51).
What are the key properties of 2-methoxyethyl N-[1-[2-[di(tetradecyl)amino]ethylamino]-6-(2-methoxyethoxycarbonylamino)-1-oxohexan-2-yl]carbamate?
2-methoxyethyl N-[1-[2-[di(tetradecyl)amino]ethylamino]-6-(2-methoxyethoxycarbonylamino)-1-oxohexan-2-yl]carbamate has a molecular weight of 785.21 g/mol, XLogP of 10.09, 42 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[1-[2-[di(tetradecyl)amino]ethylamino]-6-(2-methoxyethoxycarbonylamino)-1-oxohexan-2-yl]carbamate is sourced from PubChem (CID 176762728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).