N,N-diethyl-1-(1-hydroxybutyl)cyclohexane-1-carboxamide

C15H29NO2 — CID 86128162

IUPACN,N-diethyl-1-(1-hydroxybutyl)cyclohexane-1-carboxamide
SMILESCCCC(O)C1(C(=O)N(CC)CC)CCCCC1
InChIInChI=1S/C15H29NO2/c1-4-10-13(17)15(11-8-7-9-12-15)14(18)16(5-2)6-3/h13,17H,4-12H2,1-3H3
InChIKeyVEUADGQQCXIZMO-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.97
Rot. Bonds6

About N,N-diethyl-1-(1-hydroxybutyl)cyclohexane-1-carboxamide

N,N-diethyl-1-(1-hydroxybutyl)cyclohexane-1-carboxamide (PubChem CID 86128162) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N,N-diethyl-1-(1-hydroxybutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-(1-hydroxybutyl)cyclohexane-1-carboxamide
PubChem CID86128162
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN,N-diethyl-1-(1-hydroxybutyl)cyclohexane-1-carboxamide
SMILESCCCC(O)C1(C(=O)N(CC)CC)CCCCC1
InChIInChI=1S/C15H29NO2/c1-4-10-13(17)15(11-8-7-9-12-15)14(18)16(5-2)6-3/h13,17H,4-12H2,1-3H3
InChIKeyVEUADGQQCXIZMO-UHFFFAOYSA-N
XLogP2.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(1-hydroxybutyl)cyclohexane-1-carboxamide?
The IUPAC name of N,N-diethyl-1-(1-hydroxybutyl)cyclohexane-1-carboxamide (CID 86128162) is N,N-diethyl-1-(1-hydroxybutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N,N-diethyl-1-(1-hydroxybutyl)cyclohexane-1-carboxamide?
The canonical SMILES for N,N-diethyl-1-(1-hydroxybutyl)cyclohexane-1-carboxamide is CCCC(O)C1(C(=O)N(CC)CC)CCCCC1.
What is the InChIKey of N,N-diethyl-1-(1-hydroxybutyl)cyclohexane-1-carboxamide?
The InChIKey is VEUADGQQCXIZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-10-13(17)15(11-8-7-9-12-15)14(18)16(5-2)6-3/h13,17H,4-12H2,1-3H3.
What are the key properties of N,N-diethyl-1-(1-hydroxybutyl)cyclohexane-1-carboxamide?
N,N-diethyl-1-(1-hydroxybutyl)cyclohexane-1-carboxamide has a molecular weight of 255.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(1-hydroxybutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 86128162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).