N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide

C17H25N3O3 — CID 60577965

IUPACN-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2ccccc2CC(=O)N(C)C)CC(C)O1
InChIInChI=1S/C17H25N3O3/c1-12-10-20(11-13(2)23-12)17(22)18-15-8-6-5-7-14(15)9-16(21)19(3)4/h5-8,12-13H,9-11H2,1-4H3,(H,18,22)
InChIKeyBDUCCPXAJBKEDL-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.96
Rot. Bonds3

About N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide

N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 60577965) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID60577965
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2ccccc2CC(=O)N(C)C)CC(C)O1
InChIInChI=1S/C17H25N3O3/c1-12-10-20(11-13(2)23-12)17(22)18-15-8-6-5-7-14(15)9-16(21)19(3)4/h5-8,12-13H,9-11H2,1-4H3,(H,18,22)
InChIKeyBDUCCPXAJBKEDL-UHFFFAOYSA-N
XLogP1.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide
CID 156607502
3-(diethylamino)-N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide
CID 71992527
2,6-dimethyl-N-(2-phenylphenyl)morpholine-4-carboxamide
CID 23604703
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
(2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide
CID 94028765
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71886567
3-[(2,6-dimethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 104743147
2,6-dimethyl-N-[2-(pyridin-2-ylmethoxy)phenyl]morpholine-4-carboxamide
CID 156609618
N-(1-ethylindol-3-yl)-2,6-dimethylmorpholine-4-carboxamide
CID 18582367
2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 166404031

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide (CID 60577965) is N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide is CC1CN(C(=O)Nc2ccccc2CC(=O)N(C)C)CC(C)O1.
What is the InChIKey of N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is BDUCCPXAJBKEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12-10-20(11-13(2)23-12)17(22)18-15-8-6-5-7-14(15)9-16(21)19(3)4/h5-8,12-13H,9-11H2,1-4H3,(H,18,22).
What are the key properties of N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide?
N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 60577965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).