2-(2,2-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)propanamide

C17H26N2O2 — CID 86980480

IUPAC2-(2,2-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCOC(C)(C)C2)cc1C
InChIInChI=1S/C17H26N2O2/c1-12-6-7-15(10-13(12)2)18-16(20)14(3)19-8-9-21-17(4,5)11-19/h6-7,10,14H,8-9,11H2,1-5H3,(H,18,20)
InChIKeyZYMXEPZNHKBOAN-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.74
Rot. Bonds3

About 2-(2,2-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)propanamide

2-(2,2-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)propanamide (PubChem CID 86980480) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)propanamide
PubChem CID86980480
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCOC(C)(C)C2)cc1C
InChIInChI=1S/C17H26N2O2/c1-12-6-7-15(10-13(12)2)18-16(20)14(3)19-8-9-21-17(4,5)11-19/h6-7,10,14H,8-9,11H2,1-5H3,(H,18,20)
InChIKeyZYMXEPZNHKBOAN-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide
CID 43592372
N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide
CID 86984159
N-(3,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111113847
(2R)-N-(3,4-dimethylphenyl)-2-pyrrol-1-ylpropanamide
CID 40796758
N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide
CID 46630811
(2R)-N-(3-acetylphenyl)-2-morpholin-4-ylpropanamide
CID 8903956
N-(4-methyl-2-oxochromen-7-yl)-2-morpholin-4-ylpropanamide
CID 171915554
N-(4-bromo-3-methylphenyl)-3-(2,2-dimethylmorpholin-4-yl)propanamide
CID 21148317
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 9444041
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9248397
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 9249085
(2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30623055

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)propanamide?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)propanamide (CID 86980480) is 2-(2,2-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)propanamide.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)propanamide?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)C(C)N2CCOC(C)(C)C2)cc1C.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)propanamide?
The InChIKey is ZYMXEPZNHKBOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-6-7-15(10-13(12)2)18-16(20)14(3)19-8-9-21-17(4,5)11-19/h6-7,10,14H,8-9,11H2,1-5H3,(H,18,20).
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)propanamide?
2-(2,2-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)propanamide is sourced from PubChem (CID 86980480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).