N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2,2-dimethylmorpholine-4-carboxamide

C19H29N3O3 — CID 95057139

IUPACN-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2,2-dimethylmorpholine-4-carboxamide
SMILESC[C@H]1CN(c2ccc(NC(=O)N3CCOC(C)(C)C3)cc2)C[C@H](C)O1
InChIInChI=1S/C19H29N3O3/c1-14-11-22(12-15(2)25-14)17-7-5-16(6-8-17)20-18(23)21-9-10-24-19(3,4)13-21/h5-8,14-15H,9-13H2,1-4H3,(H,20,23)/t14-,15-/m0/s1
InChIKeyGIZCBEGUFSCSKX-GJZGRUSLSA-N
MW347.46 g/mol
LogP2.94
Rot. Bonds2

About N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2,2-dimethylmorpholine-4-carboxamide

N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2,2-dimethylmorpholine-4-carboxamide (PubChem CID 95057139) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2,2-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2,2-dimethylmorpholine-4-carboxamide
PubChem CID95057139
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2,2-dimethylmorpholine-4-carboxamide
SMILESC[C@H]1CN(c2ccc(NC(=O)N3CCOC(C)(C)C3)cc2)C[C@H](C)O1
InChIInChI=1S/C19H29N3O3/c1-14-11-22(12-15(2)25-14)17-7-5-16(6-8-17)20-18(23)21-9-10-24-19(3,4)13-21/h5-8,14-15H,9-13H2,1-4H3,(H,20,23)/t14-,15-/m0/s1
InChIKeyGIZCBEGUFSCSKX-GJZGRUSLSA-N
XLogP2.94
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2,2-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2,2-dimethylmorpholine-4-carboxamide (CID 95057139) is N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2,2-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2,2-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2,2-dimethylmorpholine-4-carboxamide is C[C@H]1CN(c2ccc(NC(=O)N3CCOC(C)(C)C3)cc2)C[C@H](C)O1.
What is the InChIKey of N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2,2-dimethylmorpholine-4-carboxamide?
The InChIKey is GIZCBEGUFSCSKX-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14-11-22(12-15(2)25-14)17-7-5-16(6-8-17)20-18(23)21-9-10-24-19(3,4)13-21/h5-8,14-15H,9-13H2,1-4H3,(H,20,23)/t14-,15-/m0/s1.
What are the key properties of N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2,2-dimethylmorpholine-4-carboxamide?
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2,2-dimethylmorpholine-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2,2-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 95057139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).