2-[[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-N-(2-phenylethyl)acetamide

C23H31N3O2 — CID 39991780

IUPAC2-[[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-N-(2-phenylethyl)acetamide
SMILESCc1ccc([C@@H](CN2CCOCC2)NCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C23H31N3O2/c1-19-7-9-21(10-8-19)22(18-26-13-15-28-16-14-26)25-17-23(27)24-12-11-20-5-3-2-4-6-20/h2-10,22,25H,11-18H2,1H3,(H,24,27)/t22-/m1/s1
InChIKeyNQSJCBFRZPVZTH-JOCHJYFZSA-N
MW381.52 g/mol
LogP2.32
Rot. Bonds9

About 2-[[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-N-(2-phenylethyl)acetamide

2-[[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-N-(2-phenylethyl)acetamide (PubChem CID 39991780) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-N-(2-phenylethyl)acetamide
PubChem CID39991780
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-[[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-N-(2-phenylethyl)acetamide
SMILESCc1ccc([C@@H](CN2CCOCC2)NCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C23H31N3O2/c1-19-7-9-21(10-8-19)22(18-26-13-15-28-16-14-26)25-17-23(27)24-12-11-20-5-3-2-4-6-20/h2-10,22,25H,11-18H2,1H3,(H,24,27)/t22-/m1/s1
InChIKeyNQSJCBFRZPVZTH-JOCHJYFZSA-N
XLogP2.32
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)sulfanylethyl]-2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]acetamide
CID 47011219
N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(2-morpholin-4-yl-1-phenylethyl)amino]acetamide
CID 112797261
N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
CID 30835257
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164
2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149582
3-(4-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 9144843
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 18588986
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
CID 42954314
3-acetamido-N-benzyl-3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 56501104
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 30653596
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-ylacetamide
CID 51925350

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-N-(2-phenylethyl)acetamide (CID 39991780) is 2-[[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-N-(2-phenylethyl)acetamide is Cc1ccc([C@@H](CN2CCOCC2)NCC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-N-(2-phenylethyl)acetamide?
The InChIKey is NQSJCBFRZPVZTH-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-19-7-9-21(10-8-19)22(18-26-13-15-28-16-14-26)25-17-23(27)24-12-11-20-5-3-2-4-6-20/h2-10,22,25H,11-18H2,1H3,(H,24,27)/t22-/m1/s1.
What are the key properties of 2-[[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-N-(2-phenylethyl)acetamide?
2-[[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-N-(2-phenylethyl)acetamide has a molecular weight of 381.52 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 39991780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).