(2R)-N-benzhydryl-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide

C25H25N3O4 — CID 27877890

IUPAC(2R)-N-benzhydryl-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@@H](c1cccc([N+](=O)[O-])c1)N1CCOCC1
InChIInChI=1S/C25H25N3O4/c29-25(26-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20)24(27-14-16-32-17-15-27)21-12-7-13-22(18-21)28(30)31/h1-13,18,23-24H,14-17H2,(H,26,29)/t24-/m1/s1
InChIKeyNOKAKFYARPFZPP-XMMPIXPASA-N
MW431.49 g/mol
LogP3.87
Rot. Bonds7

About (2R)-N-benzhydryl-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide

(2R)-N-benzhydryl-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide (PubChem CID 27877890) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is (2R)-N-benzhydryl-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name(2R)-N-benzhydryl-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide
PubChem CID27877890
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name(2R)-N-benzhydryl-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@@H](c1cccc([N+](=O)[O-])c1)N1CCOCC1
InChIInChI=1S/C25H25N3O4/c29-25(26-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20)24(27-14-16-32-17-15-27)21-12-7-13-22(18-21)28(30)31/h1-13,18,23-24H,14-17H2,(H,26,29)/t24-/m1/s1
InChIKeyNOKAKFYARPFZPP-XMMPIXPASA-N
XLogP3.87
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.87
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

N-benzhydryl-2-(3-nitrophenyl)-2-pyrrolidin-1-ylacetamide
CID 45146535
(2S)-N-(2-methylphenyl)-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide
CID 7317186
2-(3-nitrophenyl)-2-piperidin-1-ylacetic acid
CID 84747846
(2R)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ylacetamide
CID 1230131
N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide
CID 9148292
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide
CID 9148289
2-(1,3-dioxoisoindol-2-yl)-2-(3-nitrophenyl)acetic acid
CID 154154431
[3-[[[(3-nitrophenyl)-phenylmethyl]amino]methyl]oxetan-3-yl]methanol
CID 110011234
[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 3-nitrobenzoate
CID 7769143
2-(3-nitrophenyl)-2-piperidin-1-ylethanethioamide
CID 84749908
N-(methylcarbamoyl)-2-morpholin-4-yl-2-phenylacetamide
CID 17441773
(2S)-2-[(2,2-diphenylacetyl)amino]-2-(3-nitrophenyl)acetic acid
CID 67571498

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzhydryl-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide?
The IUPAC name of (2R)-N-benzhydryl-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide (CID 27877890) is (2R)-N-benzhydryl-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for (2R)-N-benzhydryl-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide?
The canonical SMILES for (2R)-N-benzhydryl-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide is O=C(NC(c1ccccc1)c1ccccc1)[C@@H](c1cccc([N+](=O)[O-])c1)N1CCOCC1.
What is the InChIKey of (2R)-N-benzhydryl-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide?
The InChIKey is NOKAKFYARPFZPP-XMMPIXPASA-N. The full InChI is InChI=1S/C25H25N3O4/c29-25(26-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20)24(27-14-16-32-17-15-27)21-12-7-13-22(18-21)28(30)31/h1-13,18,23-24H,14-17H2,(H,26,29)/t24-/m1/s1.
What are the key properties of (2R)-N-benzhydryl-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide?
(2R)-N-benzhydryl-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide has a molecular weight of 431.49 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzhydryl-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 27877890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).