N-propan-2-yl-N-prop-2-enyl-4-(propylamino)oxolane-3-carboxamide

C14H26N2O2 — CID 66256145

IUPACN-propan-2-yl-N-prop-2-enyl-4-(propylamino)oxolane-3-carboxamide
SMILESC=CCN(C(=O)C1COCC1NCCC)C(C)C
InChIInChI=1S/C14H26N2O2/c1-5-7-15-13-10-18-9-12(13)14(17)16(8-6-2)11(3)4/h6,11-13,15H,2,5,7-10H2,1,3-4H3
InChIKeyAGFSKEFGFNYESA-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.42
Rot. Bonds7

About N-propan-2-yl-N-prop-2-enyl-4-(propylamino)oxolane-3-carboxamide

N-propan-2-yl-N-prop-2-enyl-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66256145) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-propan-2-yl-N-prop-2-enyl-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-N-prop-2-enyl-4-(propylamino)oxolane-3-carboxamide
PubChem CID66256145
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-propan-2-yl-N-prop-2-enyl-4-(propylamino)oxolane-3-carboxamide
SMILESC=CCN(C(=O)C1COCC1NCCC)C(C)C
InChIInChI=1S/C14H26N2O2/c1-5-7-15-13-10-18-9-12(13)14(17)16(8-6-2)11(3)4/h6,11-13,15H,2,5,7-10H2,1,3-4H3
InChIKeyAGFSKEFGFNYESA-UHFFFAOYSA-N
XLogP1.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-propan-2-yl-N-prop-2-enyl-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-propan-2-yl-N-prop-2-enyl-4-(propylamino)oxolane-3-carboxamide (CID 66256145) is N-propan-2-yl-N-prop-2-enyl-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-N-prop-2-enyl-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-propan-2-yl-N-prop-2-enyl-4-(propylamino)oxolane-3-carboxamide is C=CCN(C(=O)C1COCC1NCCC)C(C)C.
What is the InChIKey of N-propan-2-yl-N-prop-2-enyl-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is AGFSKEFGFNYESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-7-15-13-10-18-9-12(13)14(17)16(8-6-2)11(3)4/h6,11-13,15H,2,5,7-10H2,1,3-4H3.
What are the key properties of N-propan-2-yl-N-prop-2-enyl-4-(propylamino)oxolane-3-carboxamide?
N-propan-2-yl-N-prop-2-enyl-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-prop-2-enyl-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66256145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).