N-(3-methoxypropyl)-2-[(2-methylcyclohexyl)amino]propanamide

C14H28N2O2 — CID 43112624

IUPACN-(3-methoxypropyl)-2-[(2-methylcyclohexyl)amino]propanamide
SMILESCOCCCNC(=O)C(C)NC1CCCCC1C
InChIInChI=1S/C14H28N2O2/c1-11-7-4-5-8-13(11)16-12(2)14(17)15-9-6-10-18-3/h11-13,16H,4-10H2,1-3H3,(H,15,17)
InChIKeyRIQBSKGFCAYSLS-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.70
Rot. Bonds7

About N-(3-methoxypropyl)-2-[(2-methylcyclohexyl)amino]propanamide

N-(3-methoxypropyl)-2-[(2-methylcyclohexyl)amino]propanamide (PubChem CID 43112624) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[(2-methylcyclohexyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[(2-methylcyclohexyl)amino]propanamide
PubChem CID43112624
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(3-methoxypropyl)-2-[(2-methylcyclohexyl)amino]propanamide
SMILESCOCCCNC(=O)C(C)NC1CCCCC1C
InChIInChI=1S/C14H28N2O2/c1-11-7-4-5-8-13(11)16-12(2)14(17)15-9-6-10-18-3/h11-13,16H,4-10H2,1-3H3,(H,15,17)
InChIKeyRIQBSKGFCAYSLS-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
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-methoxypropyl)-2-[(2-methylcyclohexyl)amino]propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-[(2-methylcyclohexyl)amino]propanamide (CID 43112624) is N-(3-methoxypropyl)-2-[(2-methylcyclohexyl)amino]propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[(2-methylcyclohexyl)amino]propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[(2-methylcyclohexyl)amino]propanamide is COCCCNC(=O)C(C)NC1CCCCC1C.
What is the InChIKey of N-(3-methoxypropyl)-2-[(2-methylcyclohexyl)amino]propanamide?
The InChIKey is RIQBSKGFCAYSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11-7-4-5-8-13(11)16-12(2)14(17)15-9-6-10-18-3/h11-13,16H,4-10H2,1-3H3,(H,15,17).
What are the key properties of N-(3-methoxypropyl)-2-[(2-methylcyclohexyl)amino]propanamide?
N-(3-methoxypropyl)-2-[(2-methylcyclohexyl)amino]propanamide has a molecular weight of 256.39 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[(2-methylcyclohexyl)amino]propanamide is sourced from PubChem (CID 43112624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).