N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-3-(3-methoxypropanoylamino)propanamide

C16H24N4O6 — CID 71290853

IUPACN-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-3-(3-methoxypropanoylamino)propanamide
SMILESCOCCC(=O)NCCC(=O)NCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C16H24N4O6/c1-26-11-6-14(23)17-7-4-12(21)18-8-9-19-13(22)5-10-20-15(24)2-3-16(20)25/h2-3H,4-11H2,1H3,(H,17,23)(H,18,21)(H,19,22)
InChIKeyRTEVJYWKIIAJFX-UHFFFAOYSA-N
MW368.39 g/mol
LogP-1.92
Rot. Bonds12

About N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-3-(3-methoxypropanoylamino)propanamide

N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-3-(3-methoxypropanoylamino)propanamide (PubChem CID 71290853) has the molecular formula C16H24N4O6 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-3-(3-methoxypropanoylamino)propanamide.

Molecular Properties

Compound NameN-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-3-(3-methoxypropanoylamino)propanamide
PubChem CID71290853
Molecular FormulaC16H24N4O6
Molecular Weight368.39 g/mol
Exact Mass368.17
IUPAC NameN-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-3-(3-methoxypropanoylamino)propanamide
SMILESCOCCC(=O)NCCC(=O)NCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C16H24N4O6/c1-26-11-6-14(23)17-7-4-12(21)18-8-9-19-13(22)5-10-20-15(24)2-3-16(20)25/h2-3H,4-11H2,1H3,(H,17,23)(H,18,21)(H,19,22)
InChIKeyRTEVJYWKIIAJFX-UHFFFAOYSA-N
XLogP-1.92
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
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-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-3-(3-methoxypropanoylamino)propanamide?
The IUPAC name of N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-3-(3-methoxypropanoylamino)propanamide (CID 71290853) is N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-3-(3-methoxypropanoylamino)propanamide.
What is the SMILES notation for N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-3-(3-methoxypropanoylamino)propanamide?
The canonical SMILES for N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-3-(3-methoxypropanoylamino)propanamide is COCCC(=O)NCCC(=O)NCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-3-(3-methoxypropanoylamino)propanamide?
The InChIKey is RTEVJYWKIIAJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O6/c1-26-11-6-14(23)17-7-4-12(21)18-8-9-19-13(22)5-10-20-15(24)2-3-16(20)25/h2-3H,4-11H2,1H3,(H,17,23)(H,18,21)(H,19,22).
What are the key properties of N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-3-(3-methoxypropanoylamino)propanamide?
N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-3-(3-methoxypropanoylamino)propanamide has a molecular weight of 368.39 g/mol, XLogP of -1.92, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-3-(3-methoxypropanoylamino)propanamide is sourced from PubChem (CID 71290853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).