2,2-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)butyl]propanamide;4-(2,2-dimethylpropanoylamino)butanoic acid;3-morpholin-4-ylpropan-1-ol

C32H64N4O8 — CID 162257913

IUPAC2,2-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)butyl]propanamide;4-(2,2-dimethylpropanoylamino)butanoic acid;3-morpholin-4-ylpropan-1-ol
SMILESCC(C)(C)C(=O)NCCCC(=O)O.CC(C)(C)C(=O)NCCCCOCCCN1CCOCC1.OCCCN1CCOCC1
InChIInChI=1S/C16H32N2O3.C9H17NO3.C7H15NO2/c1-16(2,3)15(19)17-7-4-5-11-20-12-6-8-18-9-13-21-14-10-18;1-9(2,3)8(13)10-6-4-5-7(11)12;9-5-1-2-8-3-6-10-7-4-8/h4-14H2,1-3H3,(H,17,19);4-6H2,1-3H3,(H,10,13)(H,11,12);9H,1-7H2
InChIKeyZYVOYQBBIPTGQY-UHFFFAOYSA-N
MW632.88 g/mol
LogP2.38
Rot. Bonds16

About 2,2-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)butyl]propanamide;4-(2,2-dimethylpropanoylamino)butanoic acid;3-morpholin-4-ylpropan-1-ol

2,2-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)butyl]propanamide;4-(2,2-dimethylpropanoylamino)butanoic acid;3-morpholin-4-ylpropan-1-ol (PubChem CID 162257913) has the molecular formula C32H64N4O8 and a molecular weight of 632.88 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)butyl]propanamide;4-(2,2-dimethylpropanoylamino)butanoic acid;3-morpholin-4-ylpropan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)butyl]propanamide;4-(2,2-dimethylpropanoylamino)butanoic acid;3-morpholin-4-ylpropan-1-ol
PubChem CID162257913
Molecular FormulaC32H64N4O8
Molecular Weight632.88 g/mol
Exact Mass632.47
IUPAC Name2,2-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)butyl]propanamide;4-(2,2-dimethylpropanoylamino)butanoic acid;3-morpholin-4-ylpropan-1-ol
SMILESCC(C)(C)C(=O)NCCCC(=O)O.CC(C)(C)C(=O)NCCCCOCCCN1CCOCC1.OCCCN1CCOCC1
InChIInChI=1S/C16H32N2O3.C9H17NO3.C7H15NO2/c1-16(2,3)15(19)17-7-4-5-11-20-12-6-8-18-9-13-21-14-10-18;1-9(2,3)8(13)10-6-4-5-7(11)12;9-5-1-2-8-3-6-10-7-4-8/h4-14H2,1-3H3,(H,17,19);4-6H2,1-3H3,(H,10,13)(H,11,12);9H,1-7H2
InChIKeyZYVOYQBBIPTGQY-UHFFFAOYSA-N
XLogP2.38
TPSA149.90 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.88
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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 2,2-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)butyl]propanamide;4-(2,2-dimethylpropanoylamino)butanoic acid;3-morpholin-4-ylpropan-1-ol?
The IUPAC name of 2,2-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)butyl]propanamide;4-(2,2-dimethylpropanoylamino)butanoic acid;3-morpholin-4-ylpropan-1-ol (CID 162257913) is 2,2-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)butyl]propanamide;4-(2,2-dimethylpropanoylamino)butanoic acid;3-morpholin-4-ylpropan-1-ol.
What is the SMILES notation for 2,2-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)butyl]propanamide;4-(2,2-dimethylpropanoylamino)butanoic acid;3-morpholin-4-ylpropan-1-ol?
The canonical SMILES for 2,2-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)butyl]propanamide;4-(2,2-dimethylpropanoylamino)butanoic acid;3-morpholin-4-ylpropan-1-ol is CC(C)(C)C(=O)NCCCC(=O)O.CC(C)(C)C(=O)NCCCCOCCCN1CCOCC1.OCCCN1CCOCC1.
What is the InChIKey of 2,2-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)butyl]propanamide;4-(2,2-dimethylpropanoylamino)butanoic acid;3-morpholin-4-ylpropan-1-ol?
The InChIKey is ZYVOYQBBIPTGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3.C9H17NO3.C7H15NO2/c1-16(2,3)15(19)17-7-4-5-11-20-12-6-8-18-9-13-21-14-10-18;1-9(2,3)8(13)10-6-4-5-7(11)12;9-5-1-2-8-3-6-10-7-4-8/h4-14H2,1-3H3,(H,17,19);4-6H2,1-3H3,(H,10,13)(H,11,12);9H,1-7H2.
What are the key properties of 2,2-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)butyl]propanamide;4-(2,2-dimethylpropanoylamino)butanoic acid;3-morpholin-4-ylpropan-1-ol?
2,2-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)butyl]propanamide;4-(2,2-dimethylpropanoylamino)butanoic acid;3-morpholin-4-ylpropan-1-ol has a molecular weight of 632.88 g/mol, XLogP of 2.38, 16 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)butyl]propanamide;4-(2,2-dimethylpropanoylamino)butanoic acid;3-morpholin-4-ylpropan-1-ol is sourced from PubChem (CID 162257913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).