N-[[4-[2-(4-aminobutoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropanamide

C15H31N3O3 — CID 166118448

IUPACN-[[4-[2-(4-aminobutoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1CN(CCOCCCCN)CCO1
InChIInChI=1S/C15H31N3O3/c1-13(2)15(19)17-11-14-12-18(7-10-21-14)6-9-20-8-4-3-5-16/h13-14H,3-12,16H2,1-2H3,(H,17,19)
InChIKeyMRECXZKDTRCRQL-UHFFFAOYSA-N
MW301.43 g/mol
LogP0.21
Rot. Bonds10

About N-[[4-[2-(4-aminobutoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropanamide

N-[[4-[2-(4-aminobutoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropanamide (PubChem CID 166118448) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[[4-[2-(4-aminobutoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[4-[2-(4-aminobutoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropanamide
PubChem CID166118448
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC NameN-[[4-[2-(4-aminobutoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1CN(CCOCCCCN)CCO1
InChIInChI=1S/C15H31N3O3/c1-13(2)15(19)17-11-14-12-18(7-10-21-14)6-9-20-8-4-3-5-16/h13-14H,3-12,16H2,1-2H3,(H,17,19)
InChIKeyMRECXZKDTRCRQL-UHFFFAOYSA-N
XLogP0.21
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide
CID 156523761
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-methylpentoxy)ethyl]morpholin-2-yl]methyl]acetamide
CID 156802663
N-[[(2R)-4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-methylpentanamide
CID 170091257
2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide
CID 163401131
S-ethyl N-[[4-[2-(3-sulfanylpropoxy)ethyl]morpholin-2-yl]methyl]carbamothioate
CID 155439493
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate
CID 115533916
S-methyl N-[[4-[2-[2-(propan-2-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]carbamothioate
CID 138727912

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-aminobutoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[4-[2-(4-aminobutoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropanamide (CID 166118448) is N-[[4-[2-(4-aminobutoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[4-[2-(4-aminobutoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[4-[2-(4-aminobutoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCC1CN(CCOCCCCN)CCO1.
What is the InChIKey of N-[[4-[2-(4-aminobutoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropanamide?
The InChIKey is MRECXZKDTRCRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3/c1-13(2)15(19)17-11-14-12-18(7-10-21-14)6-9-20-8-4-3-5-16/h13-14H,3-12,16H2,1-2H3,(H,17,19).
What are the key properties of N-[[4-[2-(4-aminobutoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropanamide?
N-[[4-[2-(4-aminobutoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropanamide has a molecular weight of 301.43 g/mol, XLogP of 0.21, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4-aminobutoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 166118448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).