(2S)-N-(2-methylphenyl)-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide

C19H21N3O4 — CID 7317186

IUPAC(2S)-N-(2-methylphenyl)-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide
SMILESCc1ccccc1NC(=O)[C@H](c1cccc([N+](=O)[O-])c1)N1CCOCC1
InChIInChI=1S/C19H21N3O4/c1-14-5-2-3-8-17(14)20-19(23)18(21-9-11-26-12-10-21)15-6-4-7-16(13-15)22(24)25/h2-8,13,18H,9-12H2,1H3,(H,20,23)/t18-/m0/s1
InChIKeyJKHBSPQQKUMPNS-SFHVURJKSA-N
MW355.39 g/mol
LogP2.92
Rot. Bonds5

About (2S)-N-(2-methylphenyl)-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide

(2S)-N-(2-methylphenyl)-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide (PubChem CID 7317186) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is (2S)-N-(2-methylphenyl)-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name(2S)-N-(2-methylphenyl)-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide
PubChem CID7317186
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name(2S)-N-(2-methylphenyl)-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide
SMILESCc1ccccc1NC(=O)[C@H](c1cccc([N+](=O)[O-])c1)N1CCOCC1
InChIInChI=1S/C19H21N3O4/c1-14-5-2-3-8-17(14)20-19(23)18(21-9-11-26-12-10-21)15-6-4-7-16(13-15)22(24)25/h2-8,13,18H,9-12H2,1H3,(H,20,23)/t18-/m0/s1
InChIKeyJKHBSPQQKUMPNS-SFHVURJKSA-N
XLogP2.92
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2R)-N-benzhydryl-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide
CID 27877890
(2R)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ylacetamide
CID 1230131
N-benzhydryl-2-(3-nitrophenyl)-2-pyrrolidin-1-ylacetamide
CID 45146535
2-(3-nitrophenyl)-2-piperidin-1-ylacetic acid
CID 84747846
(2S)-N-(2-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 31629845
2-(3,5-dichloro-2-methoxyphenyl)-N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 56694209
(2S)-2-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 7279324
1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
CID 19165614
1-methyl-3-(2-methylphenyl)-1-[(1S)-1-(3-nitrophenyl)ethyl]thiourea
CID 8560902
(2S)-N-(4-methoxyphenyl)-2-morpholin-4-yl-2-(4-nitrophenyl)acetamide
CID 7279087
2-(4-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 3520877
N-(2-bromophenyl)-2-(3-nitrophenyl)propanamide
CID 106592005

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methylphenyl)-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide?
The IUPAC name of (2S)-N-(2-methylphenyl)-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide (CID 7317186) is (2S)-N-(2-methylphenyl)-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for (2S)-N-(2-methylphenyl)-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide?
The canonical SMILES for (2S)-N-(2-methylphenyl)-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide is Cc1ccccc1NC(=O)[C@H](c1cccc([N+](=O)[O-])c1)N1CCOCC1.
What is the InChIKey of (2S)-N-(2-methylphenyl)-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide?
The InChIKey is JKHBSPQQKUMPNS-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-14-5-2-3-8-17(14)20-19(23)18(21-9-11-26-12-10-21)15-6-4-7-16(13-15)22(24)25/h2-8,13,18H,9-12H2,1H3,(H,20,23)/t18-/m0/s1.
What are the key properties of (2S)-N-(2-methylphenyl)-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide?
(2S)-N-(2-methylphenyl)-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide has a molecular weight of 355.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methylphenyl)-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 7317186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).