N-(3-aminopropyl)-N-cyclohexyl-3-propoxypropanamide

C15H30N2O2 — CID 62688230

IUPACN-(3-aminopropyl)-N-cyclohexyl-3-propoxypropanamide
SMILESCCCOCCC(=O)N(CCCN)C1CCCCC1
InChIInChI=1S/C15H30N2O2/c1-2-12-19-13-9-15(18)17(11-6-10-16)14-7-4-3-5-8-14/h14H,2-13,16H2,1H3
InChIKeyJBUNRLZYPCKFOV-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.31
Rot. Bonds9

About N-(3-aminopropyl)-N-cyclohexyl-3-propoxypropanamide

N-(3-aminopropyl)-N-cyclohexyl-3-propoxypropanamide (PubChem CID 62688230) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclohexyl-3-propoxypropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclohexyl-3-propoxypropanamide
PubChem CID62688230
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-(3-aminopropyl)-N-cyclohexyl-3-propoxypropanamide
SMILESCCCOCCC(=O)N(CCCN)C1CCCCC1
InChIInChI=1S/C15H30N2O2/c1-2-12-19-13-9-15(18)17(11-6-10-16)14-7-4-3-5-8-14/h14H,2-13,16H2,1H3
InChIKeyJBUNRLZYPCKFOV-UHFFFAOYSA-N
XLogP2.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.31
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-(3-aminopropyl)-N-cyclohexyl-3-propoxypropanamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclohexyl-3-propoxypropanamide (CID 62688230) is N-(3-aminopropyl)-N-cyclohexyl-3-propoxypropanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclohexyl-3-propoxypropanamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclohexyl-3-propoxypropanamide is CCCOCCC(=O)N(CCCN)C1CCCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclohexyl-3-propoxypropanamide?
The InChIKey is JBUNRLZYPCKFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-2-12-19-13-9-15(18)17(11-6-10-16)14-7-4-3-5-8-14/h14H,2-13,16H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-cyclohexyl-3-propoxypropanamide?
N-(3-aminopropyl)-N-cyclohexyl-3-propoxypropanamide has a molecular weight of 270.42 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclohexyl-3-propoxypropanamide is sourced from PubChem (CID 62688230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).