N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide

C14H26ClNO2 — CID 65159286

IUPACN-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N(CCCCl)C(C)C)C1C
InChIInChI=1S/C14H26ClNO2/c1-9(2)16(8-6-7-15)14(17)13-10(3)11(4)18-12(13)5/h9-13H,6-8H2,1-5H3
InChIKeyCMXHDNYWDDXIOL-UHFFFAOYSA-N
MW275.82 g/mol
LogP2.91
Rot. Bonds5

About N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide

N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide (PubChem CID 65159286) has the molecular formula C14H26ClNO2 and a molecular weight of 275.82 g/mol. Its IUPAC name is N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide
PubChem CID65159286
Molecular FormulaC14H26ClNO2
Molecular Weight275.82 g/mol
Exact Mass275.17
IUPAC NameN-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N(CCCCl)C(C)C)C1C
InChIInChI=1S/C14H26ClNO2/c1-9(2)16(8-6-7-15)14(17)13-10(3)11(4)18-12(13)5/h9-13H,6-8H2,1-5H3
InChIKeyCMXHDNYWDDXIOL-UHFFFAOYSA-N
XLogP2.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide?
The IUPAC name of N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide (CID 65159286) is N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide.
What is the SMILES notation for N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide?
The canonical SMILES for N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide is CC1OC(C)C(C(=O)N(CCCCl)C(C)C)C1C.
What is the InChIKey of N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide?
The InChIKey is CMXHDNYWDDXIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO2/c1-9(2)16(8-6-7-15)14(17)13-10(3)11(4)18-12(13)5/h9-13H,6-8H2,1-5H3.
What are the key properties of N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide?
N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide has a molecular weight of 275.82 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide is sourced from PubChem (CID 65159286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).