[3-[[benzyl(methyl)amino]methyl]phenyl]-(2-methyl-6-phenylmorpholin-4-yl)methanone

C27H30N2O2 — CID 60616199

IUPAC[3-[[benzyl(methyl)amino]methyl]phenyl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)CC(c2ccccc2)O1
InChIInChI=1S/C27H30N2O2/c1-21-17-29(20-26(31-21)24-13-7-4-8-14-24)27(30)25-15-9-12-23(16-25)19-28(2)18-22-10-5-3-6-11-22/h3-16,21,26H,17-20H2,1-2H3
InChIKeyPTHVIDJUWVRTCC-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.92
Rot. Bonds6

About [3-[[benzyl(methyl)amino]methyl]phenyl]-(2-methyl-6-phenylmorpholin-4-yl)methanone

[3-[[benzyl(methyl)amino]methyl]phenyl]-(2-methyl-6-phenylmorpholin-4-yl)methanone (PubChem CID 60616199) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is [3-[[benzyl(methyl)amino]methyl]phenyl]-(2-methyl-6-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[3-[[benzyl(methyl)amino]methyl]phenyl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
PubChem CID60616199
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name[3-[[benzyl(methyl)amino]methyl]phenyl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)CC(c2ccccc2)O1
InChIInChI=1S/C27H30N2O2/c1-21-17-29(20-26(31-21)24-13-7-4-8-14-24)27(30)25-15-9-12-23(16-25)19-28(2)18-22-10-5-3-6-11-22/h3-16,21,26H,17-20H2,1-2H3
InChIKeyPTHVIDJUWVRTCC-UHFFFAOYSA-N
XLogP4.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
1-[3-[[benzyl(methyl)amino]methyl]benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122116998
[4-(2-methyl-6-phenylmorpholine-4-carbonyl)phenyl]methylurea
CID 47914258
2-(2-methyl-6-phenylmorpholine-4-carbonyl)pyridine-4-carboxylic acid
CID 122055413
[2-(cyclopropylamino)-4-pyridinyl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 94820867
5-(2-methyl-6-phenylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 47914673
(2R,6R)-2-methyl-6-phenyl-N-phenylmethoxymorpholine-4-carboxamide
CID 95220454
5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 95583766
5-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124694837
5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124692496
2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 52537836
5-(2-methyl-6-phenylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 122158408

Frequently Asked Questions

What is the IUPAC name of [3-[[benzyl(methyl)amino]methyl]phenyl]-(2-methyl-6-phenylmorpholin-4-yl)methanone?
The IUPAC name of [3-[[benzyl(methyl)amino]methyl]phenyl]-(2-methyl-6-phenylmorpholin-4-yl)methanone (CID 60616199) is [3-[[benzyl(methyl)amino]methyl]phenyl]-(2-methyl-6-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for [3-[[benzyl(methyl)amino]methyl]phenyl]-(2-methyl-6-phenylmorpholin-4-yl)methanone?
The canonical SMILES for [3-[[benzyl(methyl)amino]methyl]phenyl]-(2-methyl-6-phenylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)CC(c2ccccc2)O1.
What is the InChIKey of [3-[[benzyl(methyl)amino]methyl]phenyl]-(2-methyl-6-phenylmorpholin-4-yl)methanone?
The InChIKey is PTHVIDJUWVRTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-21-17-29(20-26(31-21)24-13-7-4-8-14-24)27(30)25-15-9-12-23(16-25)19-28(2)18-22-10-5-3-6-11-22/h3-16,21,26H,17-20H2,1-2H3.
What are the key properties of [3-[[benzyl(methyl)amino]methyl]phenyl]-(2-methyl-6-phenylmorpholin-4-yl)methanone?
[3-[[benzyl(methyl)amino]methyl]phenyl]-(2-methyl-6-phenylmorpholin-4-yl)methanone has a molecular weight of 414.55 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[benzyl(methyl)amino]methyl]phenyl]-(2-methyl-6-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 60616199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).