N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide

C22H26N2O3 — CID 9149359

IUPACN-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)N[C@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C22H26N2O3/c25-21(19-9-5-2-6-10-19)11-12-22(26)23-20(18-7-3-1-4-8-18)17-24-13-15-27-16-14-24/h1-10,20H,11-17H2,(H,23,26)/t20-/m1/s1
InChIKeyRLTVIJCKTUSROW-HXUWFJFHSA-N
MW366.46 g/mol
LogP2.84
Rot. Bonds8

About N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide

N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide (PubChem CID 9149359) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide
PubChem CID9149359
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)N[C@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C22H26N2O3/c25-21(19-9-5-2-6-10-19)11-12-22(26)23-20(18-7-3-1-4-8-18)17-24-13-15-27-16-14-24/h1-10,20H,11-17H2,(H,23,26)/t20-/m1/s1
InChIKeyRLTVIJCKTUSROW-HXUWFJFHSA-N
XLogP2.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide
CID 9148546
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide
CID 119835990
4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride
CID 119835993
7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride
CID 119835989
N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-oxo-4-phenylbutanamide
CID 100706732
3-(2-aminophenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide;dihydrochloride
CID 120612134
4-(4-ethoxyphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxobutanamide
CID 9144519
N-(2-morpholin-4-yl-1-phenylethyl)-2-naphthalen-1-ylacetamide
CID 18166740
3-(2,4-dimethylphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide
CID 24649384
2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149582
2-hydroxy-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 86918289

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide (CID 9149359) is N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide is O=C(CCC(=O)c1ccccc1)N[C@H](CN1CCOCC1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide?
The InChIKey is RLTVIJCKTUSROW-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-21(19-9-5-2-6-10-19)11-12-22(26)23-20(18-7-3-1-4-8-18)17-24-13-15-27-16-14-24/h1-10,20H,11-17H2,(H,23,26)/t20-/m1/s1.
What are the key properties of N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide?
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide has a molecular weight of 366.46 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 9149359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).