prop-2-enyl N-[6-[2-acetamidoethyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]-6-oxohexyl]carbamate

C28H51N5O6 — CID 59809069

IUPACprop-2-enyl N-[6-[2-acetamidoethyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]-6-oxohexyl]carbamate
SMILESC=CCOC(=O)NCCCCCC(=O)N(CCNC(C)=O)CC(=O)NCCCCCCCCCCC(=O)NC
InChIInChI=1S/C28H51N5O6/c1-4-22-39-28(38)32-19-15-11-13-17-27(37)33(21-20-30-24(2)34)23-26(36)31-18-14-10-8-6-5-7-9-12-16-25(35)29-3/h4H,1,5-23H2,2-3H3,(H,29,35)(H,30,34)(H,31,36)(H,32,38)
InChIKeyZSQPKQFKTHEZPD-UHFFFAOYSA-N
MW553.75 g/mol
LogP2.80
Rot. Bonds24

About prop-2-enyl N-[6-[2-acetamidoethyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]-6-oxohexyl]carbamate

prop-2-enyl N-[6-[2-acetamidoethyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]-6-oxohexyl]carbamate (PubChem CID 59809069) has the molecular formula C28H51N5O6 and a molecular weight of 553.75 g/mol. Its IUPAC name is prop-2-enyl N-[6-[2-acetamidoethyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]-6-oxohexyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[6-[2-acetamidoethyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]-6-oxohexyl]carbamate
PubChem CID59809069
Molecular FormulaC28H51N5O6
Molecular Weight553.75 g/mol
Exact Mass553.38
IUPAC Nameprop-2-enyl N-[6-[2-acetamidoethyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]-6-oxohexyl]carbamate
SMILESC=CCOC(=O)NCCCCCC(=O)N(CCNC(C)=O)CC(=O)NCCCCCCCCCCC(=O)NC
InChIInChI=1S/C28H51N5O6/c1-4-22-39-28(38)32-19-15-11-13-17-27(37)33(21-20-30-24(2)34)23-26(36)31-18-14-10-8-6-5-7-9-12-16-25(35)29-3/h4H,1,5-23H2,2-3H3,(H,29,35)(H,30,34)(H,31,36)(H,32,38)
InChIKeyZSQPKQFKTHEZPD-UHFFFAOYSA-N
XLogP2.80
TPSA145.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.75
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

prop-2-enyl N-[6-[[2-(ethylamino)-2-oxoethyl]-[2-[11-(methylamino)undecanoylamino]ethyl]amino]-6-oxohexyl]carbamate
CID 59809074
prop-2-enyl N-(4-acetamidobutyl)carbamate
CID 54178304
9H-fluoren-9-ylmethyl 3-[[6-[2-acetamidoethyl-[2-[2-[6-[[3-(9H-fluoren-9-ylmethoxy)-3-oxopropyl]amino]hexanoyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]propanoate
CID 59809075
9H-fluoren-9-ylmethyl N-[6-[[6-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-[2-[6-aminohexanoyl-[2-(methylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-6-oxohexyl]amino]-6-oxohexyl]carbamate
CID 59809159
prop-2-enyl N-[12-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-12-oxododecyl]carbamate
CID 11634440
N-[2-[2-acetamidoethyl(hexadecanoyl)amino]ethyl]hexadecanamide
CID 3020501
6-(prop-2-enoxycarbonylamino)hexanoic acid
CID 60675511
ethyl 2-[6-acetamidohexanoyl(propyl)amino]acetate
CID 61006881
tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-2-oxoethyl]amino]propyl]carbamate
CID 163895962
N-[2-(dodecylamino)-2-oxoethyl]-N-(2-hydroxyethyl)dodecanamide
CID 59053098
nonyl 6-(prop-2-enoxycarbonylamino)hexanoate
CID 91739004
hexadecyl 6-(prop-2-enoxycarbonylamino)hexanoate
CID 91743644

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[6-[2-acetamidoethyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]-6-oxohexyl]carbamate?
The IUPAC name of prop-2-enyl N-[6-[2-acetamidoethyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]-6-oxohexyl]carbamate (CID 59809069) is prop-2-enyl N-[6-[2-acetamidoethyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]-6-oxohexyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[6-[2-acetamidoethyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]-6-oxohexyl]carbamate?
The canonical SMILES for prop-2-enyl N-[6-[2-acetamidoethyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]-6-oxohexyl]carbamate is C=CCOC(=O)NCCCCCC(=O)N(CCNC(C)=O)CC(=O)NCCCCCCCCCCC(=O)NC.
What is the InChIKey of prop-2-enyl N-[6-[2-acetamidoethyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]-6-oxohexyl]carbamate?
The InChIKey is ZSQPKQFKTHEZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H51N5O6/c1-4-22-39-28(38)32-19-15-11-13-17-27(37)33(21-20-30-24(2)34)23-26(36)31-18-14-10-8-6-5-7-9-12-16-25(35)29-3/h4H,1,5-23H2,2-3H3,(H,29,35)(H,30,34)(H,31,36)(H,32,38).
What are the key properties of prop-2-enyl N-[6-[2-acetamidoethyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]-6-oxohexyl]carbamate?
prop-2-enyl N-[6-[2-acetamidoethyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]-6-oxohexyl]carbamate has a molecular weight of 553.75 g/mol, XLogP of 2.80, 24 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[6-[2-acetamidoethyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]-6-oxohexyl]carbamate is sourced from PubChem (CID 59809069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).