1-N,1-N,4-N,4-N-tetrakis(2-hydroxyethyl)cyclohexane-1,4-dicarboxamide

C16H30N2O6 — CID 58434361

IUPAC1-N,1-N,4-N,4-N-tetrakis(2-hydroxyethyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(C1CCC(C(=O)N(CCO)CCO)CC1)N(CCO)CCO
InChIInChI=1S/C16H30N2O6/c19-9-5-17(6-10-20)15(23)13-1-2-14(4-3-13)16(24)18(7-11-21)8-12-22/h13-14,19-22H,1-12H2
InChIKeyRRAOOBQCQCDRKP-UHFFFAOYSA-N
MW346.42 g/mol
LogP-1.58
Rot. Bonds10

About 1-N,1-N,4-N,4-N-tetrakis(2-hydroxyethyl)cyclohexane-1,4-dicarboxamide

1-N,1-N,4-N,4-N-tetrakis(2-hydroxyethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 58434361) has the molecular formula C16H30N2O6 and a molecular weight of 346.42 g/mol. Its IUPAC name is 1-N,1-N,4-N,4-N-tetrakis(2-hydroxyethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N-tetrakis(2-hydroxyethyl)cyclohexane-1,4-dicarboxamide
PubChem CID58434361
Molecular FormulaC16H30N2O6
Molecular Weight346.42 g/mol
Exact Mass346.21
IUPAC Name1-N,1-N,4-N,4-N-tetrakis(2-hydroxyethyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(C1CCC(C(=O)N(CCO)CCO)CC1)N(CCO)CCO
InChIInChI=1S/C16H30N2O6/c19-9-5-17(6-10-20)15(23)13-1-2-14(4-3-13)16(24)18(7-11-21)8-12-22/h13-14,19-22H,1-12H2
InChIKeyRRAOOBQCQCDRKP-UHFFFAOYSA-N
XLogP-1.58
TPSA121.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N,4-N-tetrakis(2-hydroxyethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,1-N,4-N,4-N-tetrakis(2-hydroxyethyl)cyclohexane-1,4-dicarboxamide (CID 58434361) is 1-N,1-N,4-N,4-N-tetrakis(2-hydroxyethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,1-N,4-N,4-N-tetrakis(2-hydroxyethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,1-N,4-N,4-N-tetrakis(2-hydroxyethyl)cyclohexane-1,4-dicarboxamide is O=C(C1CCC(C(=O)N(CCO)CCO)CC1)N(CCO)CCO.
What is the InChIKey of 1-N,1-N,4-N,4-N-tetrakis(2-hydroxyethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is RRAOOBQCQCDRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O6/c19-9-5-17(6-10-20)15(23)13-1-2-14(4-3-13)16(24)18(7-11-21)8-12-22/h13-14,19-22H,1-12H2.
What are the key properties of 1-N,1-N,4-N,4-N-tetrakis(2-hydroxyethyl)cyclohexane-1,4-dicarboxamide?
1-N,1-N,4-N,4-N-tetrakis(2-hydroxyethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 346.42 g/mol, XLogP of -1.58, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N,4-N-tetrakis(2-hydroxyethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 58434361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).