ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide

C14H26N4O — CID 154687902

IUPACethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide
SMILESCC.CCCn1cc(C2(NC(=O)C(C)C)CC2)nn1
InChIInChI=1S/C12H20N4O.C2H6/c1-4-7-16-8-10(14-15-16)12(5-6-12)13-11(17)9(2)3;1-2/h8-9H,4-7H2,1-3H3,(H,13,17);1-2H3
InChIKeySRBILJXWKGWSPR-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.48
Rot. Bonds5

About ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide

ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide (PubChem CID 154687902) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide.

Molecular Properties

Compound Nameethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide
PubChem CID154687902
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Nameethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide
SMILESCC.CCCn1cc(C2(NC(=O)C(C)C)CC2)nn1
InChIInChI=1S/C12H20N4O.C2H6/c1-4-7-16-8-10(14-15-16)12(5-6-12)13-11(17)9(2)3;1-2/h8-9H,4-7H2,1-3H3,(H,13,17);1-2H3
InChIKeySRBILJXWKGWSPR-UHFFFAOYSA-N
XLogP2.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide?
The IUPAC name of ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide (CID 154687902) is ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide.
What is the SMILES notation for ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide?
The canonical SMILES for ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide is CC.CCCn1cc(C2(NC(=O)C(C)C)CC2)nn1.
What is the InChIKey of ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide?
The InChIKey is SRBILJXWKGWSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.C2H6/c1-4-7-16-8-10(14-15-16)12(5-6-12)13-11(17)9(2)3;1-2/h8-9H,4-7H2,1-3H3,(H,13,17);1-2H3.
What are the key properties of ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide?
ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide has a molecular weight of 266.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide is sourced from PubChem (CID 154687902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).