3-(3-amino-4-nitrophenyl)-2-methyl-2-morpholin-4-ylpropanamide

C14H20N4O4 — CID 175309978

IUPAC3-(3-amino-4-nitrophenyl)-2-methyl-2-morpholin-4-ylpropanamide
SMILESCC(Cc1ccc([N+](=O)[O-])c(N)c1)(C(N)=O)N1CCOCC1
InChIInChI=1S/C14H20N4O4/c1-14(13(16)19,17-4-6-22-7-5-17)9-10-2-3-12(18(20)21)11(15)8-10/h2-3,8H,4-7,9,15H2,1H3,(H2,16,19)
InChIKeyOUCOQLRXRPWJSJ-UHFFFAOYSA-N
MW308.34 g/mol
LogP0.30
Rot. Bonds5

About 3-(3-amino-4-nitrophenyl)-2-methyl-2-morpholin-4-ylpropanamide

3-(3-amino-4-nitrophenyl)-2-methyl-2-morpholin-4-ylpropanamide (PubChem CID 175309978) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-(3-amino-4-nitrophenyl)-2-methyl-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name3-(3-amino-4-nitrophenyl)-2-methyl-2-morpholin-4-ylpropanamide
PubChem CID175309978
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name3-(3-amino-4-nitrophenyl)-2-methyl-2-morpholin-4-ylpropanamide
SMILESCC(Cc1ccc([N+](=O)[O-])c(N)c1)(C(N)=O)N1CCOCC1
InChIInChI=1S/C14H20N4O4/c1-14(13(16)19,17-4-6-22-7-5-17)9-10-2-3-12(18(20)21)11(15)8-10/h2-3,8H,4-7,9,15H2,1H3,(H2,16,19)
InChIKeyOUCOQLRXRPWJSJ-UHFFFAOYSA-N
XLogP0.30
TPSA124.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

3-(3-amino-4-nitroanilino)-1-morpholin-4-ylpropan-1-one
CID 106749558
5-[(3-amino-4-nitrophenyl)methyl]-2-nitroaniline
CID 19107234
3-(4-hydroxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid
CID 84752469
3-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid
CID 84752467
(3-amino-4-nitrophenyl)methyl acetate
CID 139087347
(2S)-3-(3-fluoro-4-nitrophenyl)-2-morpholin-4-ylpropanamide
CID 175310035
3-amino-4-nitrophenol;ethane
CID 142035460
5-(bromomethyl)-2-nitroaniline
CID 91281437
3-(4-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid
CID 63270699
4-(2-methyl-1-morpholin-4-ylpropan-2-yl)-3-nitroaniline
CID 139416702
3-(3-amino-4-nitrophenyl)propanal
CID 59736875
2-[(3-amino-4-nitrophenyl)methylamino]ethanol
CID 135197451

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-nitrophenyl)-2-methyl-2-morpholin-4-ylpropanamide?
The IUPAC name of 3-(3-amino-4-nitrophenyl)-2-methyl-2-morpholin-4-ylpropanamide (CID 175309978) is 3-(3-amino-4-nitrophenyl)-2-methyl-2-morpholin-4-ylpropanamide.
What is the SMILES notation for 3-(3-amino-4-nitrophenyl)-2-methyl-2-morpholin-4-ylpropanamide?
The canonical SMILES for 3-(3-amino-4-nitrophenyl)-2-methyl-2-morpholin-4-ylpropanamide is CC(Cc1ccc([N+](=O)[O-])c(N)c1)(C(N)=O)N1CCOCC1.
What is the InChIKey of 3-(3-amino-4-nitrophenyl)-2-methyl-2-morpholin-4-ylpropanamide?
The InChIKey is OUCOQLRXRPWJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-14(13(16)19,17-4-6-22-7-5-17)9-10-2-3-12(18(20)21)11(15)8-10/h2-3,8H,4-7,9,15H2,1H3,(H2,16,19).
What are the key properties of 3-(3-amino-4-nitrophenyl)-2-methyl-2-morpholin-4-ylpropanamide?
3-(3-amino-4-nitrophenyl)-2-methyl-2-morpholin-4-ylpropanamide has a molecular weight of 308.34 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-nitrophenyl)-2-methyl-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 175309978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).