(2R)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-phenyl-1-pyrrolidin-1-ylethanone

C18H27N3O2 — CID 98758976

IUPAC(2R)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-phenyl-1-pyrrolidin-1-ylethanone
SMILESCN1CCO[C@H](CN[C@@H](C(=O)N2CCCC2)c2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c1-20-11-12-23-16(14-20)13-19-17(15-7-3-2-4-8-15)18(22)21-9-5-6-10-21/h2-4,7-8,16-17,19H,5-6,9-14H2,1H3/t16-,17-/m1/s1
InChIKeyAIKXJEADPSWXGY-IAGOWNOFSA-N
MW317.43 g/mol
LogP1.27
Rot. Bonds5

About (2R)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-phenyl-1-pyrrolidin-1-ylethanone

(2R)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-phenyl-1-pyrrolidin-1-ylethanone (PubChem CID 98758976) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2R)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-phenyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name(2R)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-phenyl-1-pyrrolidin-1-ylethanone
PubChem CID98758976
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2R)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-phenyl-1-pyrrolidin-1-ylethanone
SMILESCN1CCO[C@H](CN[C@@H](C(=O)N2CCCC2)c2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c1-20-11-12-23-16(14-20)13-19-17(15-7-3-2-4-8-15)18(22)21-9-5-6-10-21/h2-4,7-8,16-17,19H,5-6,9-14H2,1H3/t16-,17-/m1/s1
InChIKeyAIKXJEADPSWXGY-IAGOWNOFSA-N
XLogP1.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 55409532
(2R)-1-(azepan-1-yl)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propan-1-one
CID 95302737
(1S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpropan-1-amine
CID 95291809
N-[(4-methylmorpholin-2-yl)methyl]-3,3-diphenylpropanamide
CID 49094292
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
2-[(4-methylmorpholin-2-yl)methylamino]propanoic acid
CID 78967405
3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol
CID 79083417
N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 96645037
N-[(4-methylmorpholin-2-yl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 49094024
2-[(4-methylmorpholin-2-yl)methylsulfanyl]benzoic acid
CID 79165122
(1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383986
(1R)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383657

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-phenyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of (2R)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-phenyl-1-pyrrolidin-1-ylethanone (CID 98758976) is (2R)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-phenyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for (2R)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-phenyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for (2R)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-phenyl-1-pyrrolidin-1-ylethanone is CN1CCO[C@H](CN[C@@H](C(=O)N2CCCC2)c2ccccc2)C1.
What is the InChIKey of (2R)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-phenyl-1-pyrrolidin-1-ylethanone?
The InChIKey is AIKXJEADPSWXGY-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-20-11-12-23-16(14-20)13-19-17(15-7-3-2-4-8-15)18(22)21-9-5-6-10-21/h2-4,7-8,16-17,19H,5-6,9-14H2,1H3/t16-,17-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-phenyl-1-pyrrolidin-1-ylethanone?
(2R)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-phenyl-1-pyrrolidin-1-ylethanone has a molecular weight of 317.43 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-phenyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 98758976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).