(3S)-3-ethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide

C15H26N4O2 — CID 95965407

IUPAC(3S)-3-ethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide
SMILESCC[C@H]1COCCN1C(=O)NCCCCn1ccnc1C
InChIInChI=1S/C15H26N4O2/c1-3-14-12-21-11-10-19(14)15(20)17-6-4-5-8-18-9-7-16-13(18)2/h7,9,14H,3-6,8,10-12H2,1-2H3,(H,17,20)/t14-/m0/s1
InChIKeyYUSPJRAXRNMDCX-AWEZNQCLSA-N
MW294.40 g/mol
LogP1.79
Rot. Bonds6

About (3S)-3-ethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide

(3S)-3-ethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide (PubChem CID 95965407) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (3S)-3-ethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-ethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide
PubChem CID95965407
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(3S)-3-ethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide
SMILESCC[C@H]1COCCN1C(=O)NCCCCn1ccnc1C
InChIInChI=1S/C15H26N4O2/c1-3-14-12-21-11-10-19(14)15(20)17-6-4-5-8-18-9-7-16-13(18)2/h7,9,14H,3-6,8,10-12H2,1-2H3,(H,17,20)/t14-/m0/s1
InChIKeyYUSPJRAXRNMDCX-AWEZNQCLSA-N
XLogP1.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.79
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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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide?
The IUPAC name of (3S)-3-ethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide (CID 95965407) is (3S)-3-ethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide.
What is the SMILES notation for (3S)-3-ethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide?
The canonical SMILES for (3S)-3-ethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide is CC[C@H]1COCCN1C(=O)NCCCCn1ccnc1C.
What is the InChIKey of (3S)-3-ethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide?
The InChIKey is YUSPJRAXRNMDCX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-14-12-21-11-10-19(14)15(20)17-6-4-5-8-18-9-7-16-13(18)2/h7,9,14H,3-6,8,10-12H2,1-2H3,(H,17,20)/t14-/m0/s1.
What are the key properties of (3S)-3-ethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide?
(3S)-3-ethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide is sourced from PubChem (CID 95965407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).