N-(10-hydroxydecyl)-N-prop-2-enylprop-2-enamide

C16H29NO2 — CID 135122947

IUPACN-(10-hydroxydecyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCCCCCCCCCO)C(=O)C=C
InChIInChI=1S/C16H29NO2/c1-3-13-17(16(19)4-2)14-11-9-7-5-6-8-10-12-15-18/h3-4,18H,1-2,5-15H2
InChIKeyHVLXACZMNUTAJK-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.30
Rot. Bonds13

About N-(10-hydroxydecyl)-N-prop-2-enylprop-2-enamide

N-(10-hydroxydecyl)-N-prop-2-enylprop-2-enamide (PubChem CID 135122947) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-(10-hydroxydecyl)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound NameN-(10-hydroxydecyl)-N-prop-2-enylprop-2-enamide
PubChem CID135122947
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-(10-hydroxydecyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCCCCCCCCCO)C(=O)C=C
InChIInChI=1S/C16H29NO2/c1-3-13-17(16(19)4-2)14-11-9-7-5-6-8-10-12-15-18/h3-4,18H,1-2,5-15H2
InChIKeyHVLXACZMNUTAJK-UHFFFAOYSA-N
XLogP3.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(10-hydroxydecyl)-N-prop-2-enylprop-2-enamide?
The IUPAC name of N-(10-hydroxydecyl)-N-prop-2-enylprop-2-enamide (CID 135122947) is N-(10-hydroxydecyl)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for N-(10-hydroxydecyl)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for N-(10-hydroxydecyl)-N-prop-2-enylprop-2-enamide is C=CCN(CCCCCCCCCCO)C(=O)C=C.
What is the InChIKey of N-(10-hydroxydecyl)-N-prop-2-enylprop-2-enamide?
The InChIKey is HVLXACZMNUTAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-13-17(16(19)4-2)14-11-9-7-5-6-8-10-12-15-18/h3-4,18H,1-2,5-15H2.
What are the key properties of N-(10-hydroxydecyl)-N-prop-2-enylprop-2-enamide?
N-(10-hydroxydecyl)-N-prop-2-enylprop-2-enamide has a molecular weight of 267.41 g/mol, XLogP of 3.30, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-hydroxydecyl)-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 135122947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).