N-(5-amino-6-oxoheptyl)-3-(2,5-dioxopyrrol-1-yl)propanamide

C14H21N3O4 — CID 23547208

IUPACN-(5-amino-6-oxoheptyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCC(=O)C(N)CCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H21N3O4/c1-10(18)11(15)4-2-3-8-16-12(19)7-9-17-13(20)5-6-14(17)21/h5-6,11H,2-4,7-9,15H2,1H3,(H,16,19)
InChIKeyNALJYHWKNDPHLW-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.50
Rot. Bonds9

About N-(5-amino-6-oxoheptyl)-3-(2,5-dioxopyrrol-1-yl)propanamide

N-(5-amino-6-oxoheptyl)-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 23547208) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(5-amino-6-oxoheptyl)-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-6-oxoheptyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID23547208
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN-(5-amino-6-oxoheptyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCC(=O)C(N)CCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H21N3O4/c1-10(18)11(15)4-2-3-8-16-12(19)7-9-17-13(20)5-6-14(17)21/h5-6,11H,2-4,7-9,15H2,1H3,(H,16,19)
InChIKeyNALJYHWKNDPHLW-UHFFFAOYSA-N
XLogP-0.50
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-6-oxoheptyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-(5-amino-6-oxoheptyl)-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 23547208) is N-(5-amino-6-oxoheptyl)-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-(5-amino-6-oxoheptyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-(5-amino-6-oxoheptyl)-3-(2,5-dioxopyrrol-1-yl)propanamide is CC(=O)C(N)CCCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-(5-amino-6-oxoheptyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is NALJYHWKNDPHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10(18)11(15)4-2-3-8-16-12(19)7-9-17-13(20)5-6-14(17)21/h5-6,11H,2-4,7-9,15H2,1H3,(H,16,19).
What are the key properties of N-(5-amino-6-oxoheptyl)-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-(5-amino-6-oxoheptyl)-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 295.34 g/mol, XLogP of -0.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-6-oxoheptyl)-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 23547208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).