N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide

C19H24N4O3 — CID 42887582

IUPACN-[1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
SMILESCC(NC(=O)CCC(=O)N1CCOCC1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H24N4O3/c1-15(16-2-4-17(5-3-16)23-9-8-20-14-23)21-18(24)6-7-19(25)22-10-12-26-13-11-22/h2-5,8-9,14-15H,6-7,10-13H2,1H3,(H,21,24)
InChIKeyJBMITGRVLGIEJZ-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.69
Rot. Bonds6

About N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide

N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 42887582) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
PubChem CID42887582
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
SMILESCC(NC(=O)CCC(=O)N1CCOCC1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H24N4O3/c1-15(16-2-4-17(5-3-16)23-9-8-20-14-23)21-18(24)6-7-19(25)22-10-12-26-13-11-22/h2-5,8-9,14-15H,6-7,10-13H2,1H3,(H,21,24)
InChIKeyJBMITGRVLGIEJZ-UHFFFAOYSA-N
XLogP1.69
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
CID 27812555
4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide
CID 40719548
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 25388353
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 41254072
3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 18112952
3-(furan-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 35799098
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 41184329
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 27812010
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 40713174
2-cyclopentyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 27811841
4-(5-chlorothiophen-2-yl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-oxobutanamide
CID 46653852

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide (CID 42887582) is N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide is CC(NC(=O)CCC(=O)N1CCOCC1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is JBMITGRVLGIEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-15(16-2-4-17(5-3-16)23-9-8-20-14-23)21-18(24)6-7-19(25)22-10-12-26-13-11-22/h2-5,8-9,14-15H,6-7,10-13H2,1H3,(H,21,24).
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide?
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 356.43 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 42887582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).