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

C18H27N3O3 — CID 94154647

IUPAC(2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-methylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(c2ccccc2NC(=O)N2CCO[C@@H](C)C2)C[C@@H](C)O1
InChIInChI=1S/C18H27N3O3/c1-13-10-20(8-9-23-13)18(22)19-16-6-4-5-7-17(16)21-11-14(2)24-15(3)12-21/h4-7,13-15H,8-12H2,1-3H3,(H,19,22)/t13-,14+,15+/m0/s1
InChIKeyVLSSNBSJXZWFQF-RRFJBIMHSA-N
MW333.43 g/mol
LogP2.55
Rot. Bonds2

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

(2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-methylmorpholine-4-carboxamide (PubChem CID 94154647) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-methylmorpholine-4-carboxamide
PubChem CID94154647
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-methylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(c2ccccc2NC(=O)N2CCO[C@@H](C)C2)C[C@@H](C)O1
InChIInChI=1S/C18H27N3O3/c1-13-10-20(8-9-23-13)18(22)19-16-6-4-5-7-17(16)21-11-14(2)24-15(3)12-21/h4-7,13-15H,8-12H2,1-3H3,(H,19,22)/t13-,14+,15+/m0/s1
InChIKeyVLSSNBSJXZWFQF-RRFJBIMHSA-N
XLogP2.55
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-methylmorpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(cyclopropanecarbonyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]morpholine-4-carboxamide
CID 124861275
2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 104833442
1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea
CID 51085659
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(4-hydroxyphenyl)urea
CID 124618726
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide
CID 94469385
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea
CID 94154582
(E)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-phenylprop-2-enamide
CID 60533436
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 124729841
2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-(2-methylmorpholin-4-yl)ethanone
CID 102554288
2,6-dimethyl-N-(2-phenylphenyl)morpholine-4-carboxamide
CID 23604703
N'-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-[(2R)-2-hydroxypropyl]oxamide
CID 94444100
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 97024246

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-methylmorpholine-4-carboxamide?
The IUPAC name of (2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-methylmorpholine-4-carboxamide (CID 94154647) is (2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-methylmorpholine-4-carboxamide is C[C@@H]1CN(c2ccccc2NC(=O)N2CCO[C@@H](C)C2)C[C@@H](C)O1.
What is the InChIKey of (2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-methylmorpholine-4-carboxamide?
The InChIKey is VLSSNBSJXZWFQF-RRFJBIMHSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13-10-20(8-9-23-13)18(22)19-16-6-4-5-7-17(16)21-11-14(2)24-15(3)12-21/h4-7,13-15H,8-12H2,1-3H3,(H,19,22)/t13-,14+,15+/m0/s1.
What are the key properties of (2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-methylmorpholine-4-carboxamide?
(2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-methylmorpholine-4-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 94154647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).