N-(cyclohexylmethyl)acetamide;ethane;N-[(1-methyl-2-oxopiperidin-3-yl)methyl]acetamide

C20H39N3O3 — CID 143626150

IUPACN-(cyclohexylmethyl)acetamide;ethane;N-[(1-methyl-2-oxopiperidin-3-yl)methyl]acetamide
SMILESCC.CC(=O)NCC1CCCCC1.CC(=O)NCC1CCCN(C)C1=O
InChIInChI=1S/C9H16N2O2.C9H17NO.C2H6/c1-7(12)10-6-8-4-3-5-11(2)9(8)13;1-8(11)10-7-9-5-3-2-4-6-9;1-2/h8H,3-6H2,1-2H3,(H,10,12);9H,2-7H2,1H3,(H,10,11);1-2H3
InChIKeyVFSWBERBTXAGSX-UHFFFAOYSA-N
MW369.55 g/mol
LogP2.72
Rot. Bonds4

About N-(cyclohexylmethyl)acetamide;ethane;N-[(1-methyl-2-oxopiperidin-3-yl)methyl]acetamide

N-(cyclohexylmethyl)acetamide;ethane;N-[(1-methyl-2-oxopiperidin-3-yl)methyl]acetamide (PubChem CID 143626150) has the molecular formula C20H39N3O3 and a molecular weight of 369.55 g/mol. Its IUPAC name is N-(cyclohexylmethyl)acetamide;ethane;N-[(1-methyl-2-oxopiperidin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)acetamide;ethane;N-[(1-methyl-2-oxopiperidin-3-yl)methyl]acetamide
PubChem CID143626150
Molecular FormulaC20H39N3O3
Molecular Weight369.55 g/mol
Exact Mass369.30
IUPAC NameN-(cyclohexylmethyl)acetamide;ethane;N-[(1-methyl-2-oxopiperidin-3-yl)methyl]acetamide
SMILESCC.CC(=O)NCC1CCCCC1.CC(=O)NCC1CCCN(C)C1=O
InChIInChI=1S/C9H16N2O2.C9H17NO.C2H6/c1-7(12)10-6-8-4-3-5-11(2)9(8)13;1-8(11)10-7-9-5-3-2-4-6-9;1-2/h8H,3-6H2,1-2H3,(H,10,12);9H,2-7H2,1H3,(H,10,11);1-2H3
InChIKeyVFSWBERBTXAGSX-UHFFFAOYSA-N
XLogP2.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)acetamide;ethane;N-[(1-methyl-2-oxopiperidin-3-yl)methyl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)acetamide;ethane;N-[(1-methyl-2-oxopiperidin-3-yl)methyl]acetamide (CID 143626150) is N-(cyclohexylmethyl)acetamide;ethane;N-[(1-methyl-2-oxopiperidin-3-yl)methyl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)acetamide;ethane;N-[(1-methyl-2-oxopiperidin-3-yl)methyl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)acetamide;ethane;N-[(1-methyl-2-oxopiperidin-3-yl)methyl]acetamide is CC.CC(=O)NCC1CCCCC1.CC(=O)NCC1CCCN(C)C1=O.
What is the InChIKey of N-(cyclohexylmethyl)acetamide;ethane;N-[(1-methyl-2-oxopiperidin-3-yl)methyl]acetamide?
The InChIKey is VFSWBERBTXAGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2.C9H17NO.C2H6/c1-7(12)10-6-8-4-3-5-11(2)9(8)13;1-8(11)10-7-9-5-3-2-4-6-9;1-2/h8H,3-6H2,1-2H3,(H,10,12);9H,2-7H2,1H3,(H,10,11);1-2H3.
What are the key properties of N-(cyclohexylmethyl)acetamide;ethane;N-[(1-methyl-2-oxopiperidin-3-yl)methyl]acetamide?
N-(cyclohexylmethyl)acetamide;ethane;N-[(1-methyl-2-oxopiperidin-3-yl)methyl]acetamide has a molecular weight of 369.55 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)acetamide;ethane;N-[(1-methyl-2-oxopiperidin-3-yl)methyl]acetamide is sourced from PubChem (CID 143626150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).