2,2,6-trimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide

C19H27N3O3 — CID 48639893

IUPAC2,2,6-trimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)CC(C)(C)O1
InChIInChI=1S/C19H27N3O3/c1-14-12-22(13-19(2,3)25-14)18(24)20-16-8-6-7-15(11-16)17(23)21-9-4-5-10-21/h6-8,11,14H,4-5,9-10,12-13H2,1-3H3,(H,20,24)
InChIKeyVGSFYVCOTOUHGE-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.95
Rot. Bonds2

About 2,2,6-trimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide

2,2,6-trimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide (PubChem CID 48639893) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2,2,6-trimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,2,6-trimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide
PubChem CID48639893
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2,2,6-trimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)CC(C)(C)O1
InChIInChI=1S/C19H27N3O3/c1-14-12-22(13-19(2,3)25-14)18(24)20-16-8-6-7-15(11-16)17(23)21-9-4-5-10-21/h6-8,11,14H,4-5,9-10,12-13H2,1-3H3,(H,20,24)
InChIKeyVGSFYVCOTOUHGE-UHFFFAOYSA-N
XLogP2.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,6-trimethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide
CID 48640230
N-[3-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide
CID 95157981
N-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48630543
(6R)-2,2,6-trimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-4-carboxamide
CID 95135103
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 969916
N-(5-acetamido-2-chlorophenyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48641749
N-(4-cyclopentyloxyphenyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48640265
[3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 70790157
2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 43818795
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 118779622
2-(methylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119740126

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of 2,2,6-trimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide (CID 48639893) is 2,2,6-trimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for 2,2,6-trimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for 2,2,6-trimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide is CC1CN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)CC(C)(C)O1.
What is the InChIKey of 2,2,6-trimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide?
The InChIKey is VGSFYVCOTOUHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-12-22(13-19(2,3)25-14)18(24)20-16-8-6-7-15(11-16)17(23)21-9-4-5-10-21/h6-8,11,14H,4-5,9-10,12-13H2,1-3H3,(H,20,24).
What are the key properties of 2,2,6-trimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide?
2,2,6-trimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 48639893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).