N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide

C26H33N3O5 — CID 55328554

IUPACN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C26H33N3O5/c1-3-16-34-23-10-4-20(5-11-23)24(30)12-13-26(32)28(2)19-25(31)27-21-6-8-22(9-7-21)29-14-17-33-18-15-29/h4-11H,3,12-19H2,1-2H3,(H,27,31)
InChIKeyDYTMESGCLNTHPL-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.37
Rot. Bonds11

About N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide

N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide (PubChem CID 55328554) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
PubChem CID55328554
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC NameN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C26H33N3O5/c1-3-16-34-23-10-4-20(5-11-23)24(30)12-13-26(32)28(2)19-25(31)27-21-6-8-22(9-7-21)29-14-17-33-18-15-29/h4-11H,3,12-19H2,1-2H3,(H,27,31)
InChIKeyDYTMESGCLNTHPL-UHFFFAOYSA-N
XLogP3.37
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 9113502
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4820757
3-acetamido-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 9409522
4-(4-ethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
CID 9441183
N-(4-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 26269482
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
4-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 55720026
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 60516641
4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 9409582
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55727969
4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
CID 110493382

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The IUPAC name of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide (CID 55328554) is N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide.
What is the SMILES notation for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The canonical SMILES for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide is CCCOc1ccc(C(=O)CCC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The InChIKey is DYTMESGCLNTHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5/c1-3-16-34-23-10-4-20(5-11-23)24(30)12-13-26(32)28(2)19-25(31)27-21-6-8-22(9-7-21)29-14-17-33-18-15-29/h4-11H,3,12-19H2,1-2H3,(H,27,31).
What are the key properties of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide has a molecular weight of 467.57 g/mol, XLogP of 3.37, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide is sourced from PubChem (CID 55328554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).