(2S)-N-(4-methoxyphenyl)-2-morpholin-4-yl-2-(4-nitrophenyl)acetamide

C19H21N3O5 — CID 7279087

IUPAC(2S)-N-(4-methoxyphenyl)-2-morpholin-4-yl-2-(4-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)[C@H](c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1
InChIInChI=1S/C19H21N3O5/c1-26-17-8-4-15(5-9-17)20-19(23)18(21-10-12-27-13-11-21)14-2-6-16(7-3-14)22(24)25/h2-9,18H,10-13H2,1H3,(H,20,23)/t18-/m0/s1
InChIKeyWECIXYSOMPRLQC-SFHVURJKSA-N
MW371.39 g/mol
LogP2.62
Rot. Bonds6

About (2S)-N-(4-methoxyphenyl)-2-morpholin-4-yl-2-(4-nitrophenyl)acetamide

(2S)-N-(4-methoxyphenyl)-2-morpholin-4-yl-2-(4-nitrophenyl)acetamide (PubChem CID 7279087) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is (2S)-N-(4-methoxyphenyl)-2-morpholin-4-yl-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxyphenyl)-2-morpholin-4-yl-2-(4-nitrophenyl)acetamide
PubChem CID7279087
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name(2S)-N-(4-methoxyphenyl)-2-morpholin-4-yl-2-(4-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)[C@H](c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1
InChIInChI=1S/C19H21N3O5/c1-26-17-8-4-15(5-9-17)20-19(23)18(21-10-12-27-13-11-21)14-2-6-16(7-3-14)22(24)25/h2-9,18H,10-13H2,1H3,(H,20,23)/t18-/m0/s1
InChIKeyWECIXYSOMPRLQC-SFHVURJKSA-N
XLogP2.62
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-nitrophenyl)thiourea
CID 8683659
(2R)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111459
(2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111458
(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 92642329
N-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
CID 171716410
N-(4-chlorophenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
CID 171716413
N-(4-methoxyphenyl)-2-morpholin-4-yl-5-[(4-nitrobenzoyl)amino]benzamide
CID 2973346
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
1-(4-methoxyphenyl)-3-(4-nitrophenyl)thiourea
CID 13237599
4-[1-(4-nitrophenyl)ethyl]morpholine
CID 13398803
N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2964862
(2S)-N-(2-methylphenyl)-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide
CID 7317186

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxyphenyl)-2-morpholin-4-yl-2-(4-nitrophenyl)acetamide?
The IUPAC name of (2S)-N-(4-methoxyphenyl)-2-morpholin-4-yl-2-(4-nitrophenyl)acetamide (CID 7279087) is (2S)-N-(4-methoxyphenyl)-2-morpholin-4-yl-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for (2S)-N-(4-methoxyphenyl)-2-morpholin-4-yl-2-(4-nitrophenyl)acetamide?
The canonical SMILES for (2S)-N-(4-methoxyphenyl)-2-morpholin-4-yl-2-(4-nitrophenyl)acetamide is COc1ccc(NC(=O)[C@H](c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1.
What is the InChIKey of (2S)-N-(4-methoxyphenyl)-2-morpholin-4-yl-2-(4-nitrophenyl)acetamide?
The InChIKey is WECIXYSOMPRLQC-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-26-17-8-4-15(5-9-17)20-19(23)18(21-10-12-27-13-11-21)14-2-6-16(7-3-14)22(24)25/h2-9,18H,10-13H2,1H3,(H,20,23)/t18-/m0/s1.
What are the key properties of (2S)-N-(4-methoxyphenyl)-2-morpholin-4-yl-2-(4-nitrophenyl)acetamide?
(2S)-N-(4-methoxyphenyl)-2-morpholin-4-yl-2-(4-nitrophenyl)acetamide has a molecular weight of 371.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxyphenyl)-2-morpholin-4-yl-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 7279087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).