(2S)-1-morpholin-4-yl-2-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-phenylethanone

C19H28N2O3 — CID 97227101

IUPAC(2S)-1-morpholin-4-yl-2-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-phenylethanone
SMILESC[C@H](N[C@H](C(=O)N1CCOCC1)c1ccccc1)C1CCOCC1
InChIInChI=1S/C19H28N2O3/c1-15(16-7-11-23-12-8-16)20-18(17-5-3-2-4-6-17)19(22)21-9-13-24-14-10-21/h2-6,15-16,18,20H,7-14H2,1H3/t15-,18-/m0/s1
InChIKeyGSHUBCCFPFNGGA-YJBOKZPZSA-N
MW332.44 g/mol
LogP1.99
Rot. Bonds5

About (2S)-1-morpholin-4-yl-2-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-phenylethanone

(2S)-1-morpholin-4-yl-2-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-phenylethanone (PubChem CID 97227101) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2S)-1-morpholin-4-yl-2-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-phenylethanone.

Molecular Properties

Compound Name(2S)-1-morpholin-4-yl-2-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-phenylethanone
PubChem CID97227101
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(2S)-1-morpholin-4-yl-2-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-phenylethanone
SMILESC[C@H](N[C@H](C(=O)N1CCOCC1)c1ccccc1)C1CCOCC1
InChIInChI=1S/C19H28N2O3/c1-15(16-7-11-23-12-8-16)20-18(17-5-3-2-4-6-17)19(22)21-9-13-24-14-10-21/h2-6,15-16,18,20H,7-14H2,1H3/t15-,18-/m0/s1
InChIKeyGSHUBCCFPFNGGA-YJBOKZPZSA-N
XLogP1.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-morpholin-4-yl-2-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-phenylethanone with MolForge

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Related Compounds

N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-2-phenylacetamide
CID 110286922
1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea
CID 110626175
2-(1-cyclopropylethylamino)-2-phenylacetamide
CID 75511506
4-[(2S)-2-(dimethylsulfamoylamino)-2-phenylacetyl]morpholine
CID 110286962
2-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide
CID 110286907
ethyl N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]carbamate
CID 110286950
2-[[(1S)-1-cyclopentylethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81395367
3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylbutanamide
CID 110306164
2-[[(1S)-1-cycloheptylethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81392361
2-(3,4-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]acetamide
CID 110286938
(E)-2-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylprop-2-enamide
CID 110306183
(2R)-2-(2,5-dimethylanilino)-1-morpholin-4-yl-2-phenylethanone
CID 51924051

Frequently Asked Questions

What is the IUPAC name of (2S)-1-morpholin-4-yl-2-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-phenylethanone?
The IUPAC name of (2S)-1-morpholin-4-yl-2-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-phenylethanone (CID 97227101) is (2S)-1-morpholin-4-yl-2-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-phenylethanone.
What is the SMILES notation for (2S)-1-morpholin-4-yl-2-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-phenylethanone?
The canonical SMILES for (2S)-1-morpholin-4-yl-2-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-phenylethanone is C[C@H](N[C@H](C(=O)N1CCOCC1)c1ccccc1)C1CCOCC1.
What is the InChIKey of (2S)-1-morpholin-4-yl-2-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-phenylethanone?
The InChIKey is GSHUBCCFPFNGGA-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15(16-7-11-23-12-8-16)20-18(17-5-3-2-4-6-17)19(22)21-9-13-24-14-10-21/h2-6,15-16,18,20H,7-14H2,1H3/t15-,18-/m0/s1.
What are the key properties of (2S)-1-morpholin-4-yl-2-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-phenylethanone?
(2S)-1-morpholin-4-yl-2-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-phenylethanone has a molecular weight of 332.44 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-morpholin-4-yl-2-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-phenylethanone is sourced from PubChem (CID 97227101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).