3,3-dimethyl-N-(2-methyl-3-morpholin-4-ylphenyl)butanamide

C17H26N2O2 — CID 24785267

IUPAC3,3-dimethyl-N-(2-methyl-3-morpholin-4-ylphenyl)butanamide
SMILESCc1c(NC(=O)CC(C)(C)C)cccc1N1CCOCC1
InChIInChI=1S/C17H26N2O2/c1-13-14(18-16(20)12-17(2,3)4)6-5-7-15(13)19-8-10-21-11-9-19/h5-7H,8-12H2,1-4H3,(H,18,20)
InChIKeyKKSSYZQZVBYHOR-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.21
Rot. Bonds3

About 3,3-dimethyl-N-(2-methyl-3-morpholin-4-ylphenyl)butanamide

3,3-dimethyl-N-(2-methyl-3-morpholin-4-ylphenyl)butanamide (PubChem CID 24785267) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-methyl-3-morpholin-4-ylphenyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-methyl-3-morpholin-4-ylphenyl)butanamide
PubChem CID24785267
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3,3-dimethyl-N-(2-methyl-3-morpholin-4-ylphenyl)butanamide
SMILESCc1c(NC(=O)CC(C)(C)C)cccc1N1CCOCC1
InChIInChI=1S/C17H26N2O2/c1-13-14(18-16(20)12-17(2,3)4)6-5-7-15(13)19-8-10-21-11-9-19/h5-7H,8-12H2,1-4H3,(H,18,20)
InChIKeyKKSSYZQZVBYHOR-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid
CID 2813229
2-(2,6-dimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109007545
3-(3,3-dimethylbutanoylamino)-2-methylbenzoic acid
CID 55025823
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide
CID 3602856
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate
CID 24824159
N-(2-chlorophenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109008426
2-(2-bromoanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109010619
3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide
CID 109037337
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
2-(3-methoxyanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109009056

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-methyl-3-morpholin-4-ylphenyl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(2-methyl-3-morpholin-4-ylphenyl)butanamide (CID 24785267) is 3,3-dimethyl-N-(2-methyl-3-morpholin-4-ylphenyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(2-methyl-3-morpholin-4-ylphenyl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(2-methyl-3-morpholin-4-ylphenyl)butanamide is Cc1c(NC(=O)CC(C)(C)C)cccc1N1CCOCC1.
What is the InChIKey of 3,3-dimethyl-N-(2-methyl-3-morpholin-4-ylphenyl)butanamide?
The InChIKey is KKSSYZQZVBYHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-14(18-16(20)12-17(2,3)4)6-5-7-15(13)19-8-10-21-11-9-19/h5-7H,8-12H2,1-4H3,(H,18,20).
What are the key properties of 3,3-dimethyl-N-(2-methyl-3-morpholin-4-ylphenyl)butanamide?
3,3-dimethyl-N-(2-methyl-3-morpholin-4-ylphenyl)butanamide has a molecular weight of 290.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-methyl-3-morpholin-4-ylphenyl)butanamide is sourced from PubChem (CID 24785267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).