N-cyclohexyl-4-(2-hydroxybutoxy)-N-methylbutanamide

C15H29NO3 — CID 20700553

IUPACN-cyclohexyl-4-(2-hydroxybutoxy)-N-methylbutanamide
SMILESCCC(O)COCCCC(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H29NO3/c1-3-14(17)12-19-11-7-10-15(18)16(2)13-8-5-4-6-9-13/h13-14,17H,3-12H2,1-2H3
InChIKeyRFCJLMUSVHVYJH-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.35
Rot. Bonds8

About N-cyclohexyl-4-(2-hydroxybutoxy)-N-methylbutanamide

N-cyclohexyl-4-(2-hydroxybutoxy)-N-methylbutanamide (PubChem CID 20700553) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-hydroxybutoxy)-N-methylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-hydroxybutoxy)-N-methylbutanamide
PubChem CID20700553
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC NameN-cyclohexyl-4-(2-hydroxybutoxy)-N-methylbutanamide
SMILESCCC(O)COCCCC(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H29NO3/c1-3-14(17)12-19-11-7-10-15(18)16(2)13-8-5-4-6-9-13/h13-14,17H,3-12H2,1-2H3
InChIKeyRFCJLMUSVHVYJH-UHFFFAOYSA-N
XLogP2.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-hydroxybutoxy)-N-methylbutanamide?
The IUPAC name of N-cyclohexyl-4-(2-hydroxybutoxy)-N-methylbutanamide (CID 20700553) is N-cyclohexyl-4-(2-hydroxybutoxy)-N-methylbutanamide.
What is the SMILES notation for N-cyclohexyl-4-(2-hydroxybutoxy)-N-methylbutanamide?
The canonical SMILES for N-cyclohexyl-4-(2-hydroxybutoxy)-N-methylbutanamide is CCC(O)COCCCC(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-(2-hydroxybutoxy)-N-methylbutanamide?
The InChIKey is RFCJLMUSVHVYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-3-14(17)12-19-11-7-10-15(18)16(2)13-8-5-4-6-9-13/h13-14,17H,3-12H2,1-2H3.
What are the key properties of N-cyclohexyl-4-(2-hydroxybutoxy)-N-methylbutanamide?
N-cyclohexyl-4-(2-hydroxybutoxy)-N-methylbutanamide has a molecular weight of 271.40 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-hydroxybutoxy)-N-methylbutanamide is sourced from PubChem (CID 20700553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).