2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

C23H36N4O3 — CID 55411322

IUPAC2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCCN(C(=O)CN(C)CC(=O)Nc1ccc(N2CCOCC2)cc1)C1CCCCC1
InChIInChI=1S/C23H36N4O3/c1-3-27(21-7-5-4-6-8-21)23(29)18-25(2)17-22(28)24-19-9-11-20(12-10-19)26-13-15-30-16-14-26/h9-12,21H,3-8,13-18H2,1-2H3,(H,24,28)
InChIKeySKPTUEDZQVTNFT-UHFFFAOYSA-N
MW416.57 g/mol
LogP2.57
Rot. Bonds8

About 2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 55411322) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID55411322
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC Name2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCCN(C(=O)CN(C)CC(=O)Nc1ccc(N2CCOCC2)cc1)C1CCCCC1
InChIInChI=1S/C23H36N4O3/c1-3-27(21-7-5-4-6-8-21)23(29)18-25(2)17-22(28)24-19-9-11-20(12-10-19)26-13-15-30-16-14-26/h9-12,21H,3-8,13-18H2,1-2H3,(H,24,28)
InChIKeySKPTUEDZQVTNFT-UHFFFAOYSA-N
XLogP2.57
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
(2R)-N-cyclohexyl-N-ethyl-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 8592730
(2S)-N-cyclohexyl-N-ethyl-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 8592732
2-[[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55387567
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 8960463
2-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592894
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
2-[methyl-[2-(4-methylsulfanylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464363
2-[methyl-[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464279
4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 9409582
2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 94825706

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 55411322) is 2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is CCN(C(=O)CN(C)CC(=O)Nc1ccc(N2CCOCC2)cc1)C1CCCCC1.
What is the InChIKey of 2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is SKPTUEDZQVTNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-3-27(21-7-5-4-6-8-21)23(29)18-25(2)17-22(28)24-19-9-11-20(12-10-19)26-13-15-30-16-14-26/h9-12,21H,3-8,13-18H2,1-2H3,(H,24,28).
What are the key properties of 2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 416.57 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 55411322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).