N-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide

C15H30N2O3 — CID 156523761

IUPACN-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide
SMILESCCCCOCCN1CCO[C@@H](CNC(=O)C(C)C)C1
InChIInChI=1S/C15H30N2O3/c1-4-5-8-19-9-6-17-7-10-20-14(12-17)11-16-15(18)13(2)3/h13-14H,4-12H2,1-3H3,(H,16,18)/t14-/m0/s1
InChIKeyJJIOHLRAQXDERK-AWEZNQCLSA-N
MW286.42 g/mol
LogP1.28
Rot. Bonds9

About N-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide

N-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide (PubChem CID 156523761) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide
PubChem CID156523761
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC NameN-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide
SMILESCCCCOCCN1CCO[C@@H](CNC(=O)C(C)C)C1
InChIInChI=1S/C15H30N2O3/c1-4-5-8-19-9-6-17-7-10-20-14(12-17)11-16-15(18)13(2)3/h13-14H,4-12H2,1-3H3,(H,16,18)/t14-/m0/s1
InChIKeyJJIOHLRAQXDERK-AWEZNQCLSA-N
XLogP1.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.28
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

2-methyl-N-[[(2S)-4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide
CID 138727702
ethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide
CID 142616120
N-[[4-[2-(4-aminobutoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropanamide
CID 166118448
2-methyl-N-[[(2S)-4-(4-methylpentyl)morpholin-2-yl]methyl]propanamide
CID 166016856
2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide
CID 163401131
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-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
N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]butan-1-amine
CID 171540678
N-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide
CID 166800924

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide (CID 156523761) is N-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide is CCCCOCCN1CCO[C@@H](CNC(=O)C(C)C)C1.
What is the InChIKey of N-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide?
The InChIKey is JJIOHLRAQXDERK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-4-5-8-19-9-6-17-7-10-20-14(12-17)11-16-15(18)13(2)3/h13-14H,4-12H2,1-3H3,(H,16,18)/t14-/m0/s1.
What are the key properties of N-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide?
N-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide has a molecular weight of 286.42 g/mol, XLogP of 1.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 156523761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).