2-morpholin-4-ium-4-yl-N-[3-(4-nitroanilino)propyl]acetamide

C15H23N4O4+ — CID 7371288

IUPAC2-morpholin-4-ium-4-yl-N-[3-(4-nitroanilino)propyl]acetamide
SMILESO=C(C[NH+]1CCOCC1)NCCCNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H22N4O4/c20-15(12-18-8-10-23-11-9-18)17-7-1-6-16-13-2-4-14(5-3-13)19(21)22/h2-5,16H,1,6-12H2,(H,17,20)/p+1
InChIKeyCNCJUVHAWLNQKJ-UHFFFAOYSA-O
MW323.37 g/mol
LogP-0.57
Rot. Bonds8

About 2-morpholin-4-ium-4-yl-N-[3-(4-nitroanilino)propyl]acetamide

2-morpholin-4-ium-4-yl-N-[3-(4-nitroanilino)propyl]acetamide (PubChem CID 7371288) has the molecular formula C15H23N4O4+ and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-morpholin-4-ium-4-yl-N-[3-(4-nitroanilino)propyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-ium-4-yl-N-[3-(4-nitroanilino)propyl]acetamide
PubChem CID7371288
Molecular FormulaC15H23N4O4+
Molecular Weight323.37 g/mol
Exact Mass323.17
IUPAC Name2-morpholin-4-ium-4-yl-N-[3-(4-nitroanilino)propyl]acetamide
SMILESO=C(C[NH+]1CCOCC1)NCCCNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H22N4O4/c20-15(12-18-8-10-23-11-9-18)17-7-1-6-16-13-2-4-14(5-3-13)19(21)22/h2-5,16H,1,6-12H2,(H,17,20)/p+1
InChIKeyCNCJUVHAWLNQKJ-UHFFFAOYSA-O
XLogP-0.57
TPSA97.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
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

N-[3-(4-nitroanilino)propyl]acetamide
CID 2885784
N-[(E)-(2-morpholin-4-ium-4-yl-1-nitroethylidene)amino]-4-nitroaniline
CID 7451862
2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)acetamide
CID 3575843
N-(2-hydroxyethyl)-4-(4-nitroanilino)butanamide
CID 78816797
N-(3-aminopropyl)-4-(4-nitroanilino)butanamide;hydrochloride
CID 119407663
N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide
CID 2082920
1-(2-morpholin-4-ium-4-ylethyl)-3-(4-nitrophenyl)thiourea
CID 7066388
2-[3-(4-nitroanilino)propylamino]-N-(4-nitrophenyl)acetamide
CID 3610895
2-fluoro-N-[3-(4-nitroanilino)propyl]benzamide
CID 5347228
N-[4-(4-chloroanilino)-4-oxobutyl]-4-(4-nitroanilino)butanamide
CID 55990574
2-morpholin-4-ium-4-yl-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide
CID 4069374
(2R)-N-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)propanamide
CID 7443030

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ium-4-yl-N-[3-(4-nitroanilino)propyl]acetamide?
The IUPAC name of 2-morpholin-4-ium-4-yl-N-[3-(4-nitroanilino)propyl]acetamide (CID 7371288) is 2-morpholin-4-ium-4-yl-N-[3-(4-nitroanilino)propyl]acetamide.
What is the SMILES notation for 2-morpholin-4-ium-4-yl-N-[3-(4-nitroanilino)propyl]acetamide?
The canonical SMILES for 2-morpholin-4-ium-4-yl-N-[3-(4-nitroanilino)propyl]acetamide is O=C(C[NH+]1CCOCC1)NCCCNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-morpholin-4-ium-4-yl-N-[3-(4-nitroanilino)propyl]acetamide?
The InChIKey is CNCJUVHAWLNQKJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22N4O4/c20-15(12-18-8-10-23-11-9-18)17-7-1-6-16-13-2-4-14(5-3-13)19(21)22/h2-5,16H,1,6-12H2,(H,17,20)/p+1.
What are the key properties of 2-morpholin-4-ium-4-yl-N-[3-(4-nitroanilino)propyl]acetamide?
2-morpholin-4-ium-4-yl-N-[3-(4-nitroanilino)propyl]acetamide has a molecular weight of 323.37 g/mol, XLogP of -0.57, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ium-4-yl-N-[3-(4-nitroanilino)propyl]acetamide is sourced from PubChem (CID 7371288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).