[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate

C25H30ClN3O5 — CID 154773903

IUPAC[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
SMILESCC(C)C(NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C25H30ClN3O5/c1-17(2)23(28-24(31)20-5-3-4-6-21(20)26)25(32)34-16-22(30)27-19-9-7-18(8-10-19)15-29-11-13-33-14-12-29/h3-10,17,23H,11-16H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyDQRRIKOKAIEPJZ-UHFFFAOYSA-N
MW487.98 g/mol
LogP3.11
Rot. Bonds9

About [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate

[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate (PubChem CID 154773903) has the molecular formula C25H30ClN3O5 and a molecular weight of 487.98 g/mol. Its IUPAC name is [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Name[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
PubChem CID154773903
Molecular FormulaC25H30ClN3O5
Molecular Weight487.98 g/mol
Exact Mass487.19
IUPAC Name[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
SMILESCC(C)C(NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C25H30ClN3O5/c1-17(2)23(28-24(31)20-5-3-4-6-21(20)26)25(32)34-16-22(30)27-19-9-7-18(8-10-19)15-29-11-13-33-14-12-29/h3-10,17,23H,11-16H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyDQRRIKOKAIEPJZ-UHFFFAOYSA-N
XLogP3.11
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.98
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate with MolForge

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Related Compounds

2-methyl-N-[3-methyl-1-[4-(morpholin-4-ylmethyl)anilino]-1-oxobutan-2-yl]benzamide
CID 78802635
2-chloro-N-[3-[4-(morpholin-4-ylmethyl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 112772284
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 3449153
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-phenylbenzoate
CID 55530061
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55925646
2-(2-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 86978792
(2-oxo-2-piperidin-1-ylethyl) (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 7442821
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 42901361
[2-(4-chloroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575614
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate
CID 26165035
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 55936058

Frequently Asked Questions

What is the IUPAC name of [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate?
The IUPAC name of [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate (CID 154773903) is [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate.
What is the SMILES notation for [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate?
The canonical SMILES for [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate is CC(C)C(NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate?
The InChIKey is DQRRIKOKAIEPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O5/c1-17(2)23(28-24(31)20-5-3-4-6-21(20)26)25(32)34-16-22(30)27-19-9-7-18(8-10-19)15-29-11-13-33-14-12-29/h3-10,17,23H,11-16H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate?
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate has a molecular weight of 487.98 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate is sourced from PubChem (CID 154773903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).