N-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

C14H21N3O6 — CID 118201357

IUPACN-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESNC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H21N3O6/c15-11(18)4-7-22-9-10-23-8-5-16-12(19)3-6-17-13(20)1-2-14(17)21/h1-2H,3-10H2,(H2,15,18)(H,16,19)
InChIKeyWWASGBODDAVLCA-UHFFFAOYSA-N
MW327.34 g/mol
LogP-1.67
Rot. Bonds12

About N-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

N-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 118201357) has the molecular formula C14H21N3O6 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID118201357
Molecular FormulaC14H21N3O6
Molecular Weight327.34 g/mol
Exact Mass327.14
IUPAC NameN-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESNC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H21N3O6/c15-11(18)4-7-22-9-10-23-8-5-16-12(19)3-6-17-13(20)1-2-14(17)21/h1-2H,3-10H2,(H2,15,18)(H,16,19)
InChIKeyWWASGBODDAVLCA-UHFFFAOYSA-N
XLogP-1.67
TPSA128.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 118201357) is N-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is NC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is WWASGBODDAVLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O6/c15-11(18)4-7-22-9-10-23-8-5-16-12(19)3-6-17-13(20)1-2-14(17)21/h1-2H,3-10H2,(H2,15,18)(H,16,19).
What are the key properties of N-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 327.34 g/mol, XLogP of -1.67, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 118201357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).