(2R,3S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]morpholine-3-carboxamide

C19H27N3O3 — CID 120936054

IUPAC(2R,3S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C19H27N3O3/c1-14-18(20-10-12-25-14)19(24)21-16-9-11-22(13-16)17(23)8-7-15-5-3-2-4-6-15/h2-6,14,16,18,20H,7-13H2,1H3,(H,21,24)/t14-,16?,18+/m1/s1
InChIKeyWRIGNJWJDYPBRJ-ZRFIFAGDSA-N
MW345.44 g/mol
LogP0.71
Rot. Bonds5

About (2R,3S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]morpholine-3-carboxamide (PubChem CID 120936054) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]morpholine-3-carboxamide
PubChem CID120936054
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(2R,3S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C19H27N3O3/c1-14-18(20-10-12-25-14)19(24)21-16-9-11-22(13-16)17(23)8-7-15-5-3-2-4-6-15/h2-6,14,16,18,20H,7-13H2,1H3,(H,21,24)/t14-,16?,18+/m1/s1
InChIKeyWRIGNJWJDYPBRJ-ZRFIFAGDSA-N
XLogP0.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide
CID 120637262
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
(2R,3S)-2-methyl-N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide;dihydrochloride
CID 120941940
N-[1-(3-phenylpropanoyl)piperidin-4-yl]morpholine-2-carboxamide;hydrochloride
CID 119735145
2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 119339216
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide
CID 102220745
2-methyl-N-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
CID 97066119
(2R,3S)-N-(2-benzylcyclopropyl)-2-methylmorpholine-3-carboxamide
CID 120935072
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide
CID 120932111
1-(5-methyl-1,4-diazepan-1-yl)-3-phenylpropan-1-one
CID 82244369

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]morpholine-3-carboxamide (CID 120936054) is (2R,3S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NC1CCN(C(=O)CCc2ccccc2)C1.
What is the InChIKey of (2R,3S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]morpholine-3-carboxamide?
The InChIKey is WRIGNJWJDYPBRJ-ZRFIFAGDSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-18(20-10-12-25-14)19(24)21-16-9-11-22(13-16)17(23)8-7-15-5-3-2-4-6-15/h2-6,14,16,18,20H,7-13H2,1H3,(H,21,24)/t14-,16?,18+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]morpholine-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]morpholine-3-carboxamide is sourced from PubChem (CID 120936054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).