2-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide

C21H25N3O4 — CID 16892632

IUPAC2-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
SMILESO=C(NCCCCN1CCOC(c2ccccc2)C1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C21H25N3O4/c25-21(18-10-4-5-11-19(18)24(26)27)22-12-6-7-13-23-14-15-28-20(16-23)17-8-2-1-3-9-17/h1-5,8-11,20H,6-7,12-16H2,(H,22,25)
InChIKeyFCMSQVHSHGIHBK-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.18
Rot. Bonds8

About 2-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide

2-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide (PubChem CID 16892632) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide.

Molecular Properties

Compound Name2-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
PubChem CID16892632
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name2-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
SMILESO=C(NCCCCN1CCOC(c2ccccc2)C1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C21H25N3O4/c25-21(18-10-4-5-11-19(18)24(26)27)22-12-6-7-13-23-14-15-28-20(16-23)17-8-2-1-3-9-17/h1-5,8-11,20H,6-7,12-16H2,(H,22,25)
InChIKeyFCMSQVHSHGIHBK-UHFFFAOYSA-N
XLogP3.18
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethoxy-2-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892622
4-methyl-3-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892657
2-chloro-5-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892605
2-methoxy-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866530
2-chloro-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzamide
CID 51866428
4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892637
3-fluoro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892619
3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866535
N-[4-(2-phenylmorpholin-4-yl)butyl]-4-(trifluoromethyl)benzamide
CID 16892610
5-bromo-2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892507
N-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide
CID 16892629
N'-cyclopropyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]oxamide
CID 27557681

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide?
The IUPAC name of 2-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide (CID 16892632) is 2-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide.
What is the SMILES notation for 2-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide?
The canonical SMILES for 2-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide is O=C(NCCCCN1CCOC(c2ccccc2)C1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide?
The InChIKey is FCMSQVHSHGIHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c25-21(18-10-4-5-11-19(18)24(26)27)22-12-6-7-13-23-14-15-28-20(16-23)17-8-2-1-3-9-17/h1-5,8-11,20H,6-7,12-16H2,(H,22,25).
What are the key properties of 2-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide?
2-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide has a molecular weight of 383.45 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide is sourced from PubChem (CID 16892632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).