(2S)-2-acetamido-N-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide

C16H21N3O5 — CID 40542048

IUPAC(2S)-2-acetamido-N-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide
SMILESCOc1ccc(NC(=O)[C@H](NC(C)=O)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H21N3O5/c1-11(20)17-14(16(22)19-7-9-24-10-8-19)15(21)18-12-3-5-13(23-2)6-4-12/h3-6,14H,7-10H2,1-2H3,(H,17,20)(H,18,21)/t14-/m0/s1
InChIKeyAXNDUJOZOAMMOB-AWEZNQCLSA-N
MW335.36 g/mol
LogP-0.00
Rot. Bonds5

About (2S)-2-acetamido-N-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide

(2S)-2-acetamido-N-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide (PubChem CID 40542048) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is (2S)-2-acetamido-N-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide
PubChem CID40542048
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Name(2S)-2-acetamido-N-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide
SMILESCOc1ccc(NC(=O)[C@H](NC(C)=O)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H21N3O5/c1-11(20)17-14(16(22)19-7-9-24-10-8-19)15(21)18-12-3-5-13(23-2)6-4-12/h3-6,14H,7-10H2,1-2H3,(H,17,20)(H,18,21)/t14-/m0/s1
InChIKeyAXNDUJOZOAMMOB-AWEZNQCLSA-N
XLogP-0.00
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylmorpholine-4-carboxamide
CID 121316815
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate
CID 7754339
(2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 54322087
(2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide
CID 41236080
N'-dimorpholin-4-ylphosphoryl-N-(4-methoxyphenyl)morpholine-4-carboximidamide
CID 3102214
4-(4-methoxyanilino)-2-morpholin-4-yl-4-oxobutanoic acid
CID 2955982
(2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 28632965
N-(4-methoxyphenyl)-2-(oxan-4-yl)propanamide
CID 110876397
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 59639327
2-(4-methoxyphenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]acetamide
CID 110285557
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide?
The IUPAC name of (2S)-2-acetamido-N-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide (CID 40542048) is (2S)-2-acetamido-N-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide.
What is the SMILES notation for (2S)-2-acetamido-N-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide?
The canonical SMILES for (2S)-2-acetamido-N-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide is COc1ccc(NC(=O)[C@H](NC(C)=O)C(=O)N2CCOCC2)cc1.
What is the InChIKey of (2S)-2-acetamido-N-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide?
The InChIKey is AXNDUJOZOAMMOB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-11(20)17-14(16(22)19-7-9-24-10-8-19)15(21)18-12-3-5-13(23-2)6-4-12/h3-6,14H,7-10H2,1-2H3,(H,17,20)(H,18,21)/t14-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide?
(2S)-2-acetamido-N-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide has a molecular weight of 335.36 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide is sourced from PubChem (CID 40542048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).