4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide

C16H22N2O3 — CID 40719548

IUPAC4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide
SMILESC[C@H](NC(=O)CCC(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-13(14-5-3-2-4-6-14)17-15(19)7-8-16(20)18-9-11-21-12-10-18/h2-6,13H,7-12H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyTZLUATNPZPJGPO-ZDUSSCGKSA-N
MW290.36 g/mol
LogP1.50
Rot. Bonds5

About 4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide

4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide (PubChem CID 40719548) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide
PubChem CID40719548
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide
SMILESC[C@H](NC(=O)CCC(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-13(14-5-3-2-4-6-14)17-15(19)7-8-16(20)18-9-11-21-12-10-18/h2-6,13H,7-12H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyTZLUATNPZPJGPO-ZDUSSCGKSA-N
XLogP1.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
CID 27812555
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
CID 42887582
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
CID 9419010
4-morpholin-4-yl-4-oxo-N-phenylbutanamide
CID 9341047
3-(oxan-4-yl)-N-(1-phenylethyl)propanamide
CID 84578473
4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113105903
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711780
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711796
(2R)-4-methyl-2-[(4-morpholin-4-yl-4-oxobutanoyl)amino]pentanoic acid
CID 119363098
N-(3-morpholin-4-yl-3-oxopropyl)-N-(1-phenylethyl)methanesulfonamide
CID 113139084
N-[1-(4-bromophenyl)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55336133
4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxobutanamide
CID 9181207

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide?
The IUPAC name of 4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide (CID 40719548) is 4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide.
What is the SMILES notation for 4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide?
The canonical SMILES for 4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide is C[C@H](NC(=O)CCC(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of 4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide?
The InChIKey is TZLUATNPZPJGPO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-13(14-5-3-2-4-6-14)17-15(19)7-8-16(20)18-9-11-21-12-10-18/h2-6,13H,7-12H2,1H3,(H,17,19)/t13-/m0/s1.
What are the key properties of 4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide?
4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide has a molecular weight of 290.36 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide is sourced from PubChem (CID 40719548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).