(2S)-2-(cyclohexylamino)-N-(2-methoxyethyl)butanamide

C13H26N2O2 — CID 177055170

IUPAC(2S)-2-(cyclohexylamino)-N-(2-methoxyethyl)butanamide
SMILESCC[C@H](NC1CCCCC1)C(=O)NCCOC
InChIInChI=1S/C13H26N2O2/c1-3-12(13(16)14-9-10-17-2)15-11-7-5-4-6-8-11/h11-12,15H,3-10H2,1-2H3,(H,14,16)/t12-/m0/s1
InChIKeyPHTCDVWAWFEGSW-LBPRGKRZSA-N
MW242.36 g/mol
LogP1.45
Rot. Bonds7

About (2S)-2-(cyclohexylamino)-N-(2-methoxyethyl)butanamide

(2S)-2-(cyclohexylamino)-N-(2-methoxyethyl)butanamide (PubChem CID 177055170) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S)-2-(cyclohexylamino)-N-(2-methoxyethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(cyclohexylamino)-N-(2-methoxyethyl)butanamide
PubChem CID177055170
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S)-2-(cyclohexylamino)-N-(2-methoxyethyl)butanamide
SMILESCC[C@H](NC1CCCCC1)C(=O)NCCOC
InChIInChI=1S/C13H26N2O2/c1-3-12(13(16)14-9-10-17-2)15-11-7-5-4-6-8-11/h11-12,15H,3-10H2,1-2H3,(H,14,16)/t12-/m0/s1
InChIKeyPHTCDVWAWFEGSW-LBPRGKRZSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.45
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 (2S)-2-(cyclohexylamino)-N-(2-methoxyethyl)butanamide?
The IUPAC name of (2S)-2-(cyclohexylamino)-N-(2-methoxyethyl)butanamide (CID 177055170) is (2S)-2-(cyclohexylamino)-N-(2-methoxyethyl)butanamide.
What is the SMILES notation for (2S)-2-(cyclohexylamino)-N-(2-methoxyethyl)butanamide?
The canonical SMILES for (2S)-2-(cyclohexylamino)-N-(2-methoxyethyl)butanamide is CC[C@H](NC1CCCCC1)C(=O)NCCOC.
What is the InChIKey of (2S)-2-(cyclohexylamino)-N-(2-methoxyethyl)butanamide?
The InChIKey is PHTCDVWAWFEGSW-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-12(13(16)14-9-10-17-2)15-11-7-5-4-6-8-11/h11-12,15H,3-10H2,1-2H3,(H,14,16)/t12-/m0/s1.
What are the key properties of (2S)-2-(cyclohexylamino)-N-(2-methoxyethyl)butanamide?
(2S)-2-(cyclohexylamino)-N-(2-methoxyethyl)butanamide has a molecular weight of 242.36 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohexylamino)-N-(2-methoxyethyl)butanamide is sourced from PubChem (CID 177055170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).