N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide

C14H22N4O2 — CID 91842705

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCn1ccnc1CCNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C14H22N4O2/c1-17-10-8-15-12(17)6-7-16-13(19)11-18-9-4-2-3-5-14(18)20/h8,10H,2-7,9,11H2,1H3,(H,16,19)
InChIKeyCMUMUMLJJONQRB-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.48
Rot. Bonds5

About N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide

N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 91842705) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID91842705
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCn1ccnc1CCNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C14H22N4O2/c1-17-10-8-15-12(17)6-7-16-13(19)11-18-9-4-2-3-5-14(18)20/h8,10H,2-7,9,11H2,1H3,(H,16,19)
InChIKeyCMUMUMLJJONQRB-UHFFFAOYSA-N
XLogP0.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide (CID 91842705) is N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide is Cn1ccnc1CCNC(=O)CN1CCCCCC1=O.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is CMUMUMLJJONQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-17-10-8-15-12(17)6-7-16-13(19)11-18-9-4-2-3-5-14(18)20/h8,10H,2-7,9,11H2,1H3,(H,16,19).
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide?
N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 278.36 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 91842705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).