2-methyl-N-[[(2S)-4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide

C16H32N2O3 — CID 138727702

IUPAC2-methyl-N-[[(2S)-4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide
SMILESCCCCCOCCN1CCO[C@@H](CNC(=O)C(C)C)C1
InChIInChI=1S/C16H32N2O3/c1-4-5-6-9-20-10-7-18-8-11-21-15(13-18)12-17-16(19)14(2)3/h14-15H,4-13H2,1-3H3,(H,17,19)/t15-/m0/s1
InChIKeyXEIDUTOUHMGAIO-HNNXBMFYSA-N
MW300.44 g/mol
LogP1.67
Rot. Bonds10

About 2-methyl-N-[[(2S)-4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide

2-methyl-N-[[(2S)-4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide (PubChem CID 138727702) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-methyl-N-[[(2S)-4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[(2S)-4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide
PubChem CID138727702
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name2-methyl-N-[[(2S)-4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide
SMILESCCCCCOCCN1CCO[C@@H](CNC(=O)C(C)C)C1
InChIInChI=1S/C16H32N2O3/c1-4-5-6-9-20-10-7-18-8-11-21-15(13-18)12-17-16(19)14(2)3/h14-15H,4-13H2,1-3H3,(H,17,19)/t15-/m0/s1
InChIKeyXEIDUTOUHMGAIO-HNNXBMFYSA-N
XLogP1.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide
CID 142616120
N-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide
CID 156523761
N-[[4-[2-(4-aminobutoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropanamide
CID 166118448
2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide
CID 163401131
2-methyl-N-[[(2S)-4-(4-methylpentyl)morpholin-2-yl]methyl]propanamide
CID 166016856
N-[[(2R)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2,5,5-trimethyl-8-[2-[2-[(2-methylpropanoylamino)methyl]morpholin-4-yl]ethoxy]octanamide
CID 170057233
N-[[(2R)-4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-methylpentanamide
CID 170091257
N-[[(2R)-4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]acetamide
CID 156802663
N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide
CID 156795250
N-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide
CID 166800924
N-[[4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 163400398
S-ethyl N-[[4-[2-(3-sulfanylpropoxy)ethyl]morpholin-2-yl]methyl]carbamothioate
CID 155439493

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(2S)-4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[(2S)-4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide (CID 138727702) is 2-methyl-N-[[(2S)-4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[(2S)-4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[(2S)-4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide is CCCCCOCCN1CCO[C@@H](CNC(=O)C(C)C)C1.
What is the InChIKey of 2-methyl-N-[[(2S)-4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide?
The InChIKey is XEIDUTOUHMGAIO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-4-5-6-9-20-10-7-18-8-11-21-15(13-18)12-17-16(19)14(2)3/h14-15H,4-13H2,1-3H3,(H,17,19)/t15-/m0/s1.
What are the key properties of 2-methyl-N-[[(2S)-4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide?
2-methyl-N-[[(2S)-4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide has a molecular weight of 300.44 g/mol, XLogP of 1.67, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(2S)-4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide is sourced from PubChem (CID 138727702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).