4-(2,5-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxobutanamide

C20H30N2O3 — CID 51163396

IUPAC4-(2,5-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxobutanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)NCC(C)(C)N2CCOCC2)c1
InChIInChI=1S/C20H30N2O3/c1-15-5-6-16(2)17(13-15)18(23)7-8-19(24)21-14-20(3,4)22-9-11-25-12-10-22/h5-6,13H,7-12,14H2,1-4H3,(H,21,24)
InChIKeyPGNMRMJEHHYJKE-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.49
Rot. Bonds7

About 4-(2,5-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxobutanamide

4-(2,5-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxobutanamide (PubChem CID 51163396) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxobutanamide
PubChem CID51163396
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name4-(2,5-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxobutanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)NCC(C)(C)N2CCOCC2)c1
InChIInChI=1S/C20H30N2O3/c1-15-5-6-16(2)17(13-15)18(23)7-8-19(24)21-14-20(3,4)22-9-11-25-12-10-22/h5-6,13H,7-12,14H2,1-4H3,(H,21,24)
InChIKeyPGNMRMJEHHYJKE-UHFFFAOYSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 119628325
2-amino-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 62073465
N-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 51163428
3,4-dimethyl-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide
CID 51163367
4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 17459754
4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide
CID 51164342
4-(2,5-dimethylphenyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 94102322
2,4-difluoro-N-[4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-oxobutyl]benzamide
CID 51192724
5-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
CID 79193032
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 51163397
1-[(2,4-dimethylphenyl)methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111314058
3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78771852

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxobutanamide?
The IUPAC name of 4-(2,5-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxobutanamide (CID 51163396) is 4-(2,5-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxobutanamide.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxobutanamide?
The canonical SMILES for 4-(2,5-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxobutanamide is Cc1ccc(C)c(C(=O)CCC(=O)NCC(C)(C)N2CCOCC2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxobutanamide?
The InChIKey is PGNMRMJEHHYJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15-5-6-16(2)17(13-15)18(23)7-8-19(24)21-14-20(3,4)22-9-11-25-12-10-22/h5-6,13H,7-12,14H2,1-4H3,(H,21,24).
What are the key properties of 4-(2,5-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxobutanamide?
4-(2,5-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxobutanamide has a molecular weight of 346.47 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxobutanamide is sourced from PubChem (CID 51163396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).