2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide

C20H24ClN3O2 — CID 8593396

IUPAC2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESC[C@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O2/c1-15(16-2-4-17(21)5-3-16)22-14-20(25)23-18-6-8-19(9-7-18)24-10-12-26-13-11-24/h2-9,15,22H,10-14H2,1H3,(H,23,25)/t15-/m0/s1
InChIKeyHAVXSKBGEHMADS-HNNXBMFYSA-N
MW373.88 g/mol
LogP3.47
Rot. Bonds6

About 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 8593396) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID8593396
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESC[C@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O2/c1-15(16-2-4-17(21)5-3-16)22-14-20(25)23-18-6-8-19(9-7-18)24-10-12-26-13-11-24/h2-9,15,22H,10-14H2,1H3,(H,23,25)/t15-/m0/s1
InChIKeyHAVXSKBGEHMADS-HNNXBMFYSA-N
XLogP3.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 25341331
N-(4-acetylphenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336102
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9335614
N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
CID 81410060
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
N-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110650035
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9335587
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)acetamide;dihydrochloride
CID 20847919
[(1S)-1-(3-chlorophenyl)ethyl]-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8593369
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 9043932
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7969375

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 8593396) is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide is C[C@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is HAVXSKBGEHMADS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-15(16-2-4-17(21)5-3-16)22-14-20(25)23-18-6-8-19(9-7-18)24-10-12-26-13-11-24/h2-9,15,22H,10-14H2,1H3,(H,23,25)/t15-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 373.88 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 8593396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).