[2-(dipropylcarbamoylamino)-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate

C19H32N2O5 — CID 59460240

IUPAC[2-(dipropylcarbamoylamino)-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate
SMILESC=CC(=O)OCC(CCC)(COC(=O)C=C)NC(=O)N(CCC)CCC
InChIInChI=1S/C19H32N2O5/c1-6-11-19(14-25-16(22)9-4,15-26-17(23)10-5)20-18(24)21(12-7-2)13-8-3/h9-10H,4-8,11-15H2,1-3H3,(H,20,24)
InChIKeyZLNCIRHUSHURSF-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.82
Rot. Bonds13

About [2-(dipropylcarbamoylamino)-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate

[2-(dipropylcarbamoylamino)-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate (PubChem CID 59460240) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is [2-(dipropylcarbamoylamino)-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate.

Molecular Properties

Compound Name[2-(dipropylcarbamoylamino)-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate
PubChem CID59460240
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Name[2-(dipropylcarbamoylamino)-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate
SMILESC=CC(=O)OCC(CCC)(COC(=O)C=C)NC(=O)N(CCC)CCC
InChIInChI=1S/C19H32N2O5/c1-6-11-19(14-25-16(22)9-4,15-26-17(23)10-5)20-18(24)21(12-7-2)13-8-3/h9-10H,4-8,11-15H2,1-3H3,(H,20,24)
InChIKeyZLNCIRHUSHURSF-UHFFFAOYSA-N
XLogP2.82
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl(propyl)amino]ethyl prop-2-enoate
CID 118477118
2,2-dinitropentyl prop-2-enoate
CID 102248212
[methyl(propyl)amino]methyl prop-2-enoate
CID 91333116
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
(2-amino-2-ethylbutyl) prop-2-enoate
CID 57112910
3-amino-1-ethyl-1-propylurea
CID 43269070
[2-phenyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate
CID 139685478
2-[isocyanocarbamoyl(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate
CID 141363417
boranuide;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 161197836
[2-methyl-2-(octylamino)propyl] prop-2-enoate
CID 89156763
(2-ethyl-2-methyloctyl) prop-2-enoate
CID 129132567
2,2-dimethylbutyl prop-2-enoate;methanediol
CID 143956030

Frequently Asked Questions

What is the IUPAC name of [2-(dipropylcarbamoylamino)-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate?
The IUPAC name of [2-(dipropylcarbamoylamino)-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate (CID 59460240) is [2-(dipropylcarbamoylamino)-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate.
What is the SMILES notation for [2-(dipropylcarbamoylamino)-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate?
The canonical SMILES for [2-(dipropylcarbamoylamino)-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate is C=CC(=O)OCC(CCC)(COC(=O)C=C)NC(=O)N(CCC)CCC.
What is the InChIKey of [2-(dipropylcarbamoylamino)-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate?
The InChIKey is ZLNCIRHUSHURSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5/c1-6-11-19(14-25-16(22)9-4,15-26-17(23)10-5)20-18(24)21(12-7-2)13-8-3/h9-10H,4-8,11-15H2,1-3H3,(H,20,24).
What are the key properties of [2-(dipropylcarbamoylamino)-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate?
[2-(dipropylcarbamoylamino)-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate has a molecular weight of 368.47 g/mol, XLogP of 2.82, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dipropylcarbamoylamino)-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate is sourced from PubChem (CID 59460240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).