N-[2-cyclobutylidene-2-(nitrosomethylamino)ethyl]-2-cyclopropyl-N-methyl-2-(propylamino)acetamide

C16H28N4O2 — CID 145498851

IUPACN-[2-cyclobutylidene-2-(nitrosomethylamino)ethyl]-2-cyclopropyl-N-methyl-2-(propylamino)acetamide
SMILESCCCNC(C(=O)N(C)CC(NCN=O)=C1CCC1)C1CC1
InChIInChI=1S/C16H28N4O2/c1-3-9-17-15(13-7-8-13)16(21)20(2)10-14(18-11-19-22)12-5-4-6-12/h13,15,17-18H,3-11H2,1-2H3
InChIKeyKTXAXAPNQAGCOG-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.97
Rot. Bonds10

About N-[2-cyclobutylidene-2-(nitrosomethylamino)ethyl]-2-cyclopropyl-N-methyl-2-(propylamino)acetamide

N-[2-cyclobutylidene-2-(nitrosomethylamino)ethyl]-2-cyclopropyl-N-methyl-2-(propylamino)acetamide (PubChem CID 145498851) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[2-cyclobutylidene-2-(nitrosomethylamino)ethyl]-2-cyclopropyl-N-methyl-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-[2-cyclobutylidene-2-(nitrosomethylamino)ethyl]-2-cyclopropyl-N-methyl-2-(propylamino)acetamide
PubChem CID145498851
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC NameN-[2-cyclobutylidene-2-(nitrosomethylamino)ethyl]-2-cyclopropyl-N-methyl-2-(propylamino)acetamide
SMILESCCCNC(C(=O)N(C)CC(NCN=O)=C1CCC1)C1CC1
InChIInChI=1S/C16H28N4O2/c1-3-9-17-15(13-7-8-13)16(21)20(2)10-14(18-11-19-22)12-5-4-6-12/h13,15,17-18H,3-11H2,1-2H3
InChIKeyKTXAXAPNQAGCOG-UHFFFAOYSA-N
XLogP1.97
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclobutylidene-2-(nitrosomethylamino)ethyl]-2-cyclopropyl-N-methyl-2-(propylamino)acetamide?
The IUPAC name of N-[2-cyclobutylidene-2-(nitrosomethylamino)ethyl]-2-cyclopropyl-N-methyl-2-(propylamino)acetamide (CID 145498851) is N-[2-cyclobutylidene-2-(nitrosomethylamino)ethyl]-2-cyclopropyl-N-methyl-2-(propylamino)acetamide.
What is the SMILES notation for N-[2-cyclobutylidene-2-(nitrosomethylamino)ethyl]-2-cyclopropyl-N-methyl-2-(propylamino)acetamide?
The canonical SMILES for N-[2-cyclobutylidene-2-(nitrosomethylamino)ethyl]-2-cyclopropyl-N-methyl-2-(propylamino)acetamide is CCCNC(C(=O)N(C)CC(NCN=O)=C1CCC1)C1CC1.
What is the InChIKey of N-[2-cyclobutylidene-2-(nitrosomethylamino)ethyl]-2-cyclopropyl-N-methyl-2-(propylamino)acetamide?
The InChIKey is KTXAXAPNQAGCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-3-9-17-15(13-7-8-13)16(21)20(2)10-14(18-11-19-22)12-5-4-6-12/h13,15,17-18H,3-11H2,1-2H3.
What are the key properties of N-[2-cyclobutylidene-2-(nitrosomethylamino)ethyl]-2-cyclopropyl-N-methyl-2-(propylamino)acetamide?
N-[2-cyclobutylidene-2-(nitrosomethylamino)ethyl]-2-cyclopropyl-N-methyl-2-(propylamino)acetamide has a molecular weight of 308.43 g/mol, XLogP of 1.97, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclobutylidene-2-(nitrosomethylamino)ethyl]-2-cyclopropyl-N-methyl-2-(propylamino)acetamide is sourced from PubChem (CID 145498851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).