2-[(3S)-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]morpholin-3-yl]-N,N-dimethylacetamide

C20H28N4O3 — CID 95871764

IUPAC2-[(3S)-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]morpholin-3-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C[C@H]1COCCN1Cc1ccc(OCCn2ccnc2)cc1
InChIInChI=1S/C20H28N4O3/c1-22(2)20(25)13-18-15-26-11-10-24(18)14-17-3-5-19(6-4-17)27-12-9-23-8-7-21-16-23/h3-8,16,18H,9-15H2,1-2H3/t18-/m0/s1
InChIKeyFDCYFKDORGLWHY-SFHVURJKSA-N
MW372.47 g/mol
LogP1.64
Rot. Bonds8

About 2-[(3S)-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]morpholin-3-yl]-N,N-dimethylacetamide

2-[(3S)-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]morpholin-3-yl]-N,N-dimethylacetamide (PubChem CID 95871764) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[(3S)-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]morpholin-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3S)-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]morpholin-3-yl]-N,N-dimethylacetamide
PubChem CID95871764
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-[(3S)-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]morpholin-3-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C[C@H]1COCCN1Cc1ccc(OCCn2ccnc2)cc1
InChIInChI=1S/C20H28N4O3/c1-22(2)20(25)13-18-15-26-11-10-24(18)14-17-3-5-19(6-4-17)27-12-9-23-8-7-21-16-23/h3-8,16,18H,9-15H2,1-2H3/t18-/m0/s1
InChIKeyFDCYFKDORGLWHY-SFHVURJKSA-N
XLogP1.64
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]morpholin-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3S)-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]morpholin-3-yl]-N,N-dimethylacetamide (CID 95871764) is 2-[(3S)-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]morpholin-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3S)-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]morpholin-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3S)-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]morpholin-3-yl]-N,N-dimethylacetamide is CN(C)C(=O)C[C@H]1COCCN1Cc1ccc(OCCn2ccnc2)cc1.
What is the InChIKey of 2-[(3S)-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]morpholin-3-yl]-N,N-dimethylacetamide?
The InChIKey is FDCYFKDORGLWHY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-22(2)20(25)13-18-15-26-11-10-24(18)14-17-3-5-19(6-4-17)27-12-9-23-8-7-21-16-23/h3-8,16,18H,9-15H2,1-2H3/t18-/m0/s1.
What are the key properties of 2-[(3S)-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]morpholin-3-yl]-N,N-dimethylacetamide?
2-[(3S)-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]morpholin-3-yl]-N,N-dimethylacetamide has a molecular weight of 372.47 g/mol, XLogP of 1.64, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]morpholin-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 95871764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).