N-(3-propan-2-yloxypropyl)-N'-prop-2-enylbutanediamide

C13H24N2O3 — CID 51362760

IUPACN-(3-propan-2-yloxypropyl)-N'-prop-2-enylbutanediamide
SMILESC=CCNC(=O)CCC(=O)NCCCOC(C)C
InChIInChI=1S/C13H24N2O3/c1-4-8-14-12(16)6-7-13(17)15-9-5-10-18-11(2)3/h4,11H,1,5-10H2,2-3H3,(H,14,16)(H,15,17)
InChIKeyRBITUZFURKSSRQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.00
Rot. Bonds10

About N-(3-propan-2-yloxypropyl)-N'-prop-2-enylbutanediamide

N-(3-propan-2-yloxypropyl)-N'-prop-2-enylbutanediamide (PubChem CID 51362760) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-N'-prop-2-enylbutanediamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-N'-prop-2-enylbutanediamide
PubChem CID51362760
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-(3-propan-2-yloxypropyl)-N'-prop-2-enylbutanediamide
SMILESC=CCNC(=O)CCC(=O)NCCCOC(C)C
InChIInChI=1S/C13H24N2O3/c1-4-8-14-12(16)6-7-13(17)15-9-5-10-18-11(2)3/h4,11H,1,5-10H2,2-3H3,(H,14,16)(H,15,17)
InChIKeyRBITUZFURKSSRQ-UHFFFAOYSA-N
XLogP1.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)-N'-prop-2-enylbutanediamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)-N'-prop-2-enylbutanediamide (CID 51362760) is N-(3-propan-2-yloxypropyl)-N'-prop-2-enylbutanediamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-N'-prop-2-enylbutanediamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-N'-prop-2-enylbutanediamide is C=CCNC(=O)CCC(=O)NCCCOC(C)C.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-N'-prop-2-enylbutanediamide?
The InChIKey is RBITUZFURKSSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-8-14-12(16)6-7-13(17)15-9-5-10-18-11(2)3/h4,11H,1,5-10H2,2-3H3,(H,14,16)(H,15,17).
What are the key properties of N-(3-propan-2-yloxypropyl)-N'-prop-2-enylbutanediamide?
N-(3-propan-2-yloxypropyl)-N'-prop-2-enylbutanediamide has a molecular weight of 256.35 g/mol, XLogP of 1.00, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-N'-prop-2-enylbutanediamide is sourced from PubChem (CID 51362760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).