N,N-bis(3-hydroxypropyl)-2-pent-1-enylbutanediamide

C15H28N2O4 — CID 141484954

IUPACN,N-bis(3-hydroxypropyl)-2-pent-1-enylbutanediamide
SMILESCCCC=CC(CC(N)=O)C(=O)N(CCCO)CCCO
InChIInChI=1S/C15H28N2O4/c1-2-3-4-7-13(12-14(16)20)15(21)17(8-5-10-18)9-6-11-19/h4,7,13,18-19H,2-3,5-6,8-12H2,1H3,(H2,16,20)
InChIKeyAPWADYUIFWRWAG-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.43
Rot. Bonds12

About N,N-bis(3-hydroxypropyl)-2-pent-1-enylbutanediamide

N,N-bis(3-hydroxypropyl)-2-pent-1-enylbutanediamide (PubChem CID 141484954) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is N,N-bis(3-hydroxypropyl)-2-pent-1-enylbutanediamide.

Molecular Properties

Compound NameN,N-bis(3-hydroxypropyl)-2-pent-1-enylbutanediamide
PubChem CID141484954
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC NameN,N-bis(3-hydroxypropyl)-2-pent-1-enylbutanediamide
SMILESCCCC=CC(CC(N)=O)C(=O)N(CCCO)CCCO
InChIInChI=1S/C15H28N2O4/c1-2-3-4-7-13(12-14(16)20)15(21)17(8-5-10-18)9-6-11-19/h4,7,13,18-19H,2-3,5-6,8-12H2,1H3,(H2,16,20)
InChIKeyAPWADYUIFWRWAG-UHFFFAOYSA-N
XLogP0.43
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-hydroxypropyl)-2-pent-1-enylbutanediamide?
The IUPAC name of N,N-bis(3-hydroxypropyl)-2-pent-1-enylbutanediamide (CID 141484954) is N,N-bis(3-hydroxypropyl)-2-pent-1-enylbutanediamide.
What is the SMILES notation for N,N-bis(3-hydroxypropyl)-2-pent-1-enylbutanediamide?
The canonical SMILES for N,N-bis(3-hydroxypropyl)-2-pent-1-enylbutanediamide is CCCC=CC(CC(N)=O)C(=O)N(CCCO)CCCO.
What is the InChIKey of N,N-bis(3-hydroxypropyl)-2-pent-1-enylbutanediamide?
The InChIKey is APWADYUIFWRWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-2-3-4-7-13(12-14(16)20)15(21)17(8-5-10-18)9-6-11-19/h4,7,13,18-19H,2-3,5-6,8-12H2,1H3,(H2,16,20).
What are the key properties of N,N-bis(3-hydroxypropyl)-2-pent-1-enylbutanediamide?
N,N-bis(3-hydroxypropyl)-2-pent-1-enylbutanediamide has a molecular weight of 300.40 g/mol, XLogP of 0.43, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-hydroxypropyl)-2-pent-1-enylbutanediamide is sourced from PubChem (CID 141484954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).