2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide

C16H24N2O2 — CID 110637241

IUPAC2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide
SMILESCC1CN(c2ccc(NC(=O)C(C)(C)C)cc2)CCO1
InChIInChI=1S/C16H24N2O2/c1-12-11-18(9-10-20-12)14-7-5-13(6-8-14)17-15(19)16(2,3)4/h5-8,12H,9-11H2,1-4H3,(H,17,19)
InChIKeyJTTBDIFIBTUOCB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.90
Rot. Bonds2

About 2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide

2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide (PubChem CID 110637241) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide
PubChem CID110637241
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide
SMILESCC1CN(c2ccc(NC(=O)C(C)(C)C)cc2)CCO1
InChIInChI=1S/C16H24N2O2/c1-12-11-18(9-10-20-12)14-7-5-13(6-8-14)17-15(19)16(2,3)4/h5-8,12H,9-11H2,1-4H3,(H,17,19)
InChIKeyJTTBDIFIBTUOCB-UHFFFAOYSA-N
XLogP2.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]butanamide
CID 110637243
4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide
CID 110637249
1-(4-hydroxycyclohexyl)-3-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]urea
CID 95634857
N-[4-(2-methylmorpholin-4-yl)phenyl]-2-phenylacetamide
CID 110637265
2-chloro-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide
CID 110637279
N-[4-(2-methylmorpholin-4-yl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110637302
N-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide
CID 91661182
3-(4-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide
CID 110637300
2,2-dimethyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352930
N-[4-(1,3-dioxolan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 110732799
N-[4-(2-methylmorpholin-4-yl)phenyl]-2-(trifluoromethylsulfonyl)aniline
CID 167955272
tert-butyl N-[[4-(2-methylmorpholin-4-yl)phenyl]methyl]carbamate
CID 139523201

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide (CID 110637241) is 2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide is CC1CN(c2ccc(NC(=O)C(C)(C)C)cc2)CCO1.
What is the InChIKey of 2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide?
The InChIKey is JTTBDIFIBTUOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-11-18(9-10-20-12)14-7-5-13(6-8-14)17-15(19)16(2,3)4/h5-8,12H,9-11H2,1-4H3,(H,17,19).
What are the key properties of 2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide?
2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide is sourced from PubChem (CID 110637241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).