2,2-dimethyl-N-(3-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide

C16H22N2O3 — CID 108959884

IUPAC2,2-dimethyl-N-(3-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
SMILESCc1cccc(NC(=O)C(C)(C)C(=O)N2CCOCC2)c1
InChIInChI=1S/C16H22N2O3/c1-12-5-4-6-13(11-12)17-14(19)16(2,3)15(20)18-7-9-21-10-8-18/h4-6,11H,7-10H2,1-3H3,(H,17,19)
InChIKeySBPHWIVHOBXRJR-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.82
Rot. Bonds3

About 2,2-dimethyl-N-(3-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide

2,2-dimethyl-N-(3-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide (PubChem CID 108959884) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
PubChem CID108959884
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2,2-dimethyl-N-(3-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
SMILESCc1cccc(NC(=O)C(C)(C)C(=O)N2CCOCC2)c1
InChIInChI=1S/C16H22N2O3/c1-12-5-4-6-13(11-12)17-14(19)16(2,3)15(20)18-7-9-21-10-8-18/h4-6,11H,7-10H2,1-3H3,(H,17,19)
InChIKeySBPHWIVHOBXRJR-UHFFFAOYSA-N
XLogP1.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
CID 108960915
ethyl 4-[2,2-dimethyl-3-(3-methylanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108965342
3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
CID 108965538
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
CID 108965460
N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959913
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967401
2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308
N-[4-(diethylamino)phenyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959945
N-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958859
3-(4-acetylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108961240
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
3-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108961269

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide?
The IUPAC name of 2,2-dimethyl-N-(3-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide (CID 108959884) is 2,2-dimethyl-N-(3-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide.
What is the SMILES notation for 2,2-dimethyl-N-(3-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide?
The canonical SMILES for 2,2-dimethyl-N-(3-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide is Cc1cccc(NC(=O)C(C)(C)C(=O)N2CCOCC2)c1.
What is the InChIKey of 2,2-dimethyl-N-(3-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide?
The InChIKey is SBPHWIVHOBXRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-5-4-6-13(11-12)17-14(19)16(2,3)15(20)18-7-9-21-10-8-18/h4-6,11H,7-10H2,1-3H3,(H,17,19).
What are the key properties of 2,2-dimethyl-N-(3-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide?
2,2-dimethyl-N-(3-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide has a molecular weight of 290.36 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide is sourced from PubChem (CID 108959884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).