[(2S)-1-[(2S)-2-tert-butylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]urea

C18H27N3O3 — CID 129479851

IUPAC[(2S)-1-[(2S)-2-tert-butylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]urea
SMILESCC(C)(C)[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(N)=O)CCO1
InChIInChI=1S/C18H27N3O3/c1-18(2,3)15-12-21(9-10-24-15)16(22)14(20-17(19)23)11-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H3,19,20,23)/t14-,15+/m0/s1
InChIKeyQFEFLCGFLUMPOR-LSDHHAIUSA-N
MW333.43 g/mol
LogP1.54
Rot. Bonds4

About [(2S)-1-[(2S)-2-tert-butylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]urea

[(2S)-1-[(2S)-2-tert-butylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]urea (PubChem CID 129479851) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is [(2S)-1-[(2S)-2-tert-butylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name[(2S)-1-[(2S)-2-tert-butylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]urea
PubChem CID129479851
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name[(2S)-1-[(2S)-2-tert-butylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]urea
SMILESCC(C)(C)[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(N)=O)CCO1
InChIInChI=1S/C18H27N3O3/c1-18(2,3)15-12-21(9-10-24-15)16(22)14(20-17(19)23)11-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H3,19,20,23)/t14-,15+/m0/s1
InChIKeyQFEFLCGFLUMPOR-LSDHHAIUSA-N
XLogP1.54
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347212
[1-(2-azaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]urea
CID 136528201
[1-(3-azaspiro[5.5]undecan-3-yl)-1-oxo-3-phenylpropan-2-yl]urea
CID 134813321
N-[1-oxo-3-phenyl-1-(4-phenylpiperidin-1-yl)propan-2-yl]furan-2-carboxamide
CID 55550533
[(2R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea
CID 30475476
methyl 3-phenyl-2-[(2-phenylmorpholine-4-carbonyl)amino]propanoate
CID 74662394
benzyl N-[(2S)-3-(4-hydroxyphenyl)-1-[3-(2-iodopropan-2-yl)azetidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 121406852
2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 110355924
N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 51730216
N-[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 9117695
N-[[(2S)-4-[(2R)-2-amino-3-phenylpropanoyl]morpholin-2-yl]methyl]acetamide
CID 124610150
(2R)-2-amino-1-[(2R)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]-3-phenylpropan-1-one
CID 125152052

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2S)-2-tert-butylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]urea?
The IUPAC name of [(2S)-1-[(2S)-2-tert-butylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]urea (CID 129479851) is [(2S)-1-[(2S)-2-tert-butylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]urea.
What is the SMILES notation for [(2S)-1-[(2S)-2-tert-butylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]urea?
The canonical SMILES for [(2S)-1-[(2S)-2-tert-butylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]urea is CC(C)(C)[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(N)=O)CCO1.
What is the InChIKey of [(2S)-1-[(2S)-2-tert-butylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]urea?
The InChIKey is QFEFLCGFLUMPOR-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-18(2,3)15-12-21(9-10-24-15)16(22)14(20-17(19)23)11-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H3,19,20,23)/t14-,15+/m0/s1.
What are the key properties of [(2S)-1-[(2S)-2-tert-butylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]urea?
[(2S)-1-[(2S)-2-tert-butylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]urea has a molecular weight of 333.43 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2S)-2-tert-butylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 129479851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).