3-methyl-N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]butanamide

C24H30N4O4 — CID 54832093

IUPAC3-methyl-N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CNc2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C24H30N4O4/c1-17(2)15-22(29)26-20-7-9-21(10-8-20)27-23(30)16-25-19-5-3-18(4-6-19)24(31)28-11-13-32-14-12-28/h3-10,17,25H,11-16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyWGRLUNRJXMWTNF-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.19
Rot. Bonds8

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

3-methyl-N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]butanamide (PubChem CID 54832093) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 3-methyl-N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]butanamide
PubChem CID54832093
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name3-methyl-N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CNc2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C24H30N4O4/c1-17(2)15-22(29)26-20-7-9-21(10-8-20)27-23(30)16-25-19-5-3-18(4-6-19)24(31)28-11-13-32-14-12-28/h3-10,17,25H,11-16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyWGRLUNRJXMWTNF-UHFFFAOYSA-N
XLogP3.19
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54830418
N-[4-(2-methylpropoxy)phenyl]-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832218
2-[4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 54832695
N-butan-2-yl-4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834706
N-ethyl-4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839441
2-(2,6-dimethylanilino)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
CID 54818171
4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N-propylbenzamide
CID 54831969
N-tert-butyl-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832569
N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839339
N-[4-(morpholine-4-carbonyl)phenyl]-2-(naphthalen-2-ylamino)acetamide
CID 54839830
3-methyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide
CID 110352683
N-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832283

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]butanamide (CID 54832093) is 3-methyl-N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]butanamide is CC(C)CC(=O)Nc1ccc(NC(=O)CNc2ccc(C(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 3-methyl-N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]butanamide?
The InChIKey is WGRLUNRJXMWTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-17(2)15-22(29)26-20-7-9-21(10-8-20)27-23(30)16-25-19-5-3-18(4-6-19)24(31)28-11-13-32-14-12-28/h3-10,17,25H,11-16H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 3-methyl-N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]butanamide?
3-methyl-N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]butanamide has a molecular weight of 438.53 g/mol, XLogP of 3.19, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 54832093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).