N-[2-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide

C23H28N4O4 — CID 54845041

IUPACN-[2-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1C
InChIInChI=1S/C23H28N4O4/c1-3-21(28)26-20-6-4-5-19(16(20)2)24-15-22(29)25-18-9-7-17(8-10-18)23(30)27-11-13-31-14-12-27/h4-10,24H,3,11-15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyWYGXEEXOLDOWSY-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.87
Rot. Bonds7

About N-[2-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide

N-[2-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide (PubChem CID 54845041) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[2-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
PubChem CID54845041
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-[2-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1C
InChIInChI=1S/C23H28N4O4/c1-3-21(28)26-20-6-4-5-19(16(20)2)24-15-22(29)25-18-9-7-17(8-10-18)23(30)27-11-13-31-14-12-27/h4-10,24H,3,11-15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyWYGXEEXOLDOWSY-UHFFFAOYSA-N
XLogP2.87
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54833905
N-[3-[[2-[4-(azepane-1-carbonyl)anilino]acetyl]amino]-2-methylphenyl]propanamide
CID 54834973
2-(2,6-dimethylanilino)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
CID 54818171
2-(2-chloroanilino)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
CID 54810418
2-[4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 54832695
N-(2-ethoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54831932
N-ethyl-4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839441
N-butan-2-yl-4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834706
N-butan-2-yl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835046
3-methyl-N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54832093
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843375
4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N-propylbenzamide
CID 54831969

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide?
The IUPAC name of N-[2-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide (CID 54845041) is N-[2-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[2-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide?
The canonical SMILES for N-[2-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(NCC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1C.
What is the InChIKey of N-[2-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide?
The InChIKey is WYGXEEXOLDOWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-3-21(28)26-20-6-4-5-19(16(20)2)24-15-22(29)25-18-9-7-17(8-10-18)23(30)27-11-13-31-14-12-27/h4-10,24H,3,11-15H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-[2-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide?
N-[2-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide has a molecular weight of 424.50 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54845041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).