N-(4-aminophenyl)-4-(3,5-dioxomorpholin-4-yl)butanamide

C14H17N3O4 — CID 61312691

IUPACN-(4-aminophenyl)-4-(3,5-dioxomorpholin-4-yl)butanamide
SMILESNc1ccc(NC(=O)CCCN2C(=O)COCC2=O)cc1
InChIInChI=1S/C14H17N3O4/c15-10-3-5-11(6-4-10)16-12(18)2-1-7-17-13(19)8-21-9-14(17)20/h3-6H,1-2,7-9,15H2,(H,16,18)
InChIKeyRRXFJTBPFVADST-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.37
Rot. Bonds5

About N-(4-aminophenyl)-4-(3,5-dioxomorpholin-4-yl)butanamide

N-(4-aminophenyl)-4-(3,5-dioxomorpholin-4-yl)butanamide (PubChem CID 61312691) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-(3,5-dioxomorpholin-4-yl)butanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-(3,5-dioxomorpholin-4-yl)butanamide
PubChem CID61312691
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-(4-aminophenyl)-4-(3,5-dioxomorpholin-4-yl)butanamide
SMILESNc1ccc(NC(=O)CCCN2C(=O)COCC2=O)cc1
InChIInChI=1S/C14H17N3O4/c15-10-3-5-11(6-4-10)16-12(18)2-1-7-17-13(19)8-21-9-14(17)20/h3-6H,1-2,7-9,15H2,(H,16,18)
InChIKeyRRXFJTBPFVADST-UHFFFAOYSA-N
XLogP0.37
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide
CID 43447501
N-(4-aminophenyl)-4-morpholin-4-ylbutanamide
CID 16779642
N-(4-aminophenyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanamide
CID 30057783
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide
CID 17035141
N-(4-aminophenyl)-4-(3-bromo-2-oxo-1-pyridinyl)butanamide
CID 114760151
6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide
CID 17035026
11-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)undecanamide
CID 17035124
N-(4-aminophenyl)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]butanamide
CID 61407133
N-(4-aminophenyl)-4-(oxetan-3-ylsulfanyl)butanamide
CID 79326272
N-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide
CID 43372575
N-[4-(4-aminophenyl)phenyl]pentanamide
CID 90390735

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-(3,5-dioxomorpholin-4-yl)butanamide?
The IUPAC name of N-(4-aminophenyl)-4-(3,5-dioxomorpholin-4-yl)butanamide (CID 61312691) is N-(4-aminophenyl)-4-(3,5-dioxomorpholin-4-yl)butanamide.
What is the SMILES notation for N-(4-aminophenyl)-4-(3,5-dioxomorpholin-4-yl)butanamide?
The canonical SMILES for N-(4-aminophenyl)-4-(3,5-dioxomorpholin-4-yl)butanamide is Nc1ccc(NC(=O)CCCN2C(=O)COCC2=O)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-(3,5-dioxomorpholin-4-yl)butanamide?
The InChIKey is RRXFJTBPFVADST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c15-10-3-5-11(6-4-10)16-12(18)2-1-7-17-13(19)8-21-9-14(17)20/h3-6H,1-2,7-9,15H2,(H,16,18).
What are the key properties of N-(4-aminophenyl)-4-(3,5-dioxomorpholin-4-yl)butanamide?
N-(4-aminophenyl)-4-(3,5-dioxomorpholin-4-yl)butanamide has a molecular weight of 291.31 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-(3,5-dioxomorpholin-4-yl)butanamide is sourced from PubChem (CID 61312691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).