N-cyclooctyl-2-[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide

C17H30N4O2 — CID 91831986

IUPACN-cyclooctyl-2-[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
SMILESCn1ccnc1CN(CCO)CC(=O)NC1CCCCCCC1
InChIInChI=1S/C17H30N4O2/c1-20-10-9-18-16(20)13-21(11-12-22)14-17(23)19-15-7-5-3-2-4-6-8-15/h9-10,15,22H,2-8,11-14H2,1H3,(H,19,23)
InChIKeyKPWAVPHCEPSUJB-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.44
Rot. Bonds7

About N-cyclooctyl-2-[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide

N-cyclooctyl-2-[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide (PubChem CID 91831986) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-cyclooctyl-2-[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
PubChem CID91831986
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC NameN-cyclooctyl-2-[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
SMILESCn1ccnc1CN(CCO)CC(=O)NC1CCCCCCC1
InChIInChI=1S/C17H30N4O2/c1-20-10-9-18-16(20)13-21(11-12-22)14-17(23)19-15-7-5-3-2-4-6-8-15/h9-10,15,22H,2-8,11-14H2,1H3,(H,19,23)
InChIKeyKPWAVPHCEPSUJB-UHFFFAOYSA-N
XLogP1.44
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide?
The IUPAC name of N-cyclooctyl-2-[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide (CID 91831986) is N-cyclooctyl-2-[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-cyclooctyl-2-[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide is Cn1ccnc1CN(CCO)CC(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide?
The InChIKey is KPWAVPHCEPSUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-20-10-9-18-16(20)13-21(11-12-22)14-17(23)19-15-7-5-3-2-4-6-8-15/h9-10,15,22H,2-8,11-14H2,1H3,(H,19,23).
What are the key properties of N-cyclooctyl-2-[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide?
N-cyclooctyl-2-[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide has a molecular weight of 322.45 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 91831986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).