N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-methylbutanamide

C14H25N3O2 — CID 91923937

IUPACN-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-methylbutanamide
SMILESCOCCn1c(C)cnc1CCNC(=O)CC(C)C
InChIInChI=1S/C14H25N3O2/c1-11(2)9-14(18)15-6-5-13-16-10-12(3)17(13)7-8-19-4/h10-11H,5-9H2,1-4H3,(H,15,18)
InChIKeySBTZXEOTANQSIY-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.54
Rot. Bonds8

About N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-methylbutanamide

N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-methylbutanamide (PubChem CID 91923937) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-methylbutanamide
PubChem CID91923937
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-methylbutanamide
SMILESCOCCn1c(C)cnc1CCNC(=O)CC(C)C
InChIInChI=1S/C14H25N3O2/c1-11(2)9-14(18)15-6-5-13-16-10-12(3)17(13)7-8-19-4/h10-11H,5-9H2,1-4H3,(H,15,18)
InChIKeySBTZXEOTANQSIY-UHFFFAOYSA-N
XLogP1.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-methylbutanamide (CID 91923937) is N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-methylbutanamide is COCCn1c(C)cnc1CCNC(=O)CC(C)C.
What is the InChIKey of N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-methylbutanamide?
The InChIKey is SBTZXEOTANQSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11(2)9-14(18)15-6-5-13-16-10-12(3)17(13)7-8-19-4/h10-11H,5-9H2,1-4H3,(H,15,18).
What are the key properties of N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-methylbutanamide?
N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-methylbutanamide has a molecular weight of 267.37 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-methylbutanamide is sourced from PubChem (CID 91923937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).