N-[2-[7-(2,5-dioxopyrrol-1-yl)heptylamino]ethyl]formamide

C14H23N3O3 — CID 177148966

IUPACN-[2-[7-(2,5-dioxopyrrol-1-yl)heptylamino]ethyl]formamide
SMILESO=CNCCNCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H23N3O3/c18-12-16-10-9-15-8-4-2-1-3-5-11-17-13(19)6-7-14(17)20/h6-7,12,15H,1-5,8-11H2,(H,16,18)
InChIKeyQWWNWZGNCMEIPU-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.20
Rot. Bonds12

About N-[2-[7-(2,5-dioxopyrrol-1-yl)heptylamino]ethyl]formamide

N-[2-[7-(2,5-dioxopyrrol-1-yl)heptylamino]ethyl]formamide (PubChem CID 177148966) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[2-[7-(2,5-dioxopyrrol-1-yl)heptylamino]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[7-(2,5-dioxopyrrol-1-yl)heptylamino]ethyl]formamide
PubChem CID177148966
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-[2-[7-(2,5-dioxopyrrol-1-yl)heptylamino]ethyl]formamide
SMILESO=CNCCNCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H23N3O3/c18-12-16-10-9-15-8-4-2-1-3-5-11-17-13(19)6-7-14(17)20/h6-7,12,15H,1-5,8-11H2,(H,16,18)
InChIKeyQWWNWZGNCMEIPU-UHFFFAOYSA-N
XLogP0.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]formamide
CID 118485994
N-[6-[3-(6-formamidohexyl)-2,4-dioxo-1,3-diazetidin-1-yl]hexyl]formamide
CID 165361548
6-(2,5-dioxopyrrol-1-yl)hexylcarbamic acid
CID 90457556
1-[5-[[(2S)-2-acetyl-3-methylbutyl]amino]pentyl]pyrrole-2,5-dione
CID 145135132
2-[2-[6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]hexanoylamino]propanoylamino]propanoic acid
CID 175412635
3-[2-(2,5-dioxopyrrol-1-yl)ethylamino]propanoic acid
CID 90457244
1-(14-sulfanyltetradecyl)pyrrole-2,5-dione
CID 173127689
1-(5-iodopentyl)pyrrole-2,5-dione
CID 89213790
1-(13-sulfanyltridecyl)pyrrole-2,5-dione
CID 173127544
1-(10-hydroxydecyl)pyrrole-2,5-dione
CID 68660027
1-hexadecylpyrrole-2,5-dione
CID 4526314
N-[2-(2-formamidoethylamino)ethyl]formamide
CID 89321401

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(2,5-dioxopyrrol-1-yl)heptylamino]ethyl]formamide?
The IUPAC name of N-[2-[7-(2,5-dioxopyrrol-1-yl)heptylamino]ethyl]formamide (CID 177148966) is N-[2-[7-(2,5-dioxopyrrol-1-yl)heptylamino]ethyl]formamide.
What is the SMILES notation for N-[2-[7-(2,5-dioxopyrrol-1-yl)heptylamino]ethyl]formamide?
The canonical SMILES for N-[2-[7-(2,5-dioxopyrrol-1-yl)heptylamino]ethyl]formamide is O=CNCCNCCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-[7-(2,5-dioxopyrrol-1-yl)heptylamino]ethyl]formamide?
The InChIKey is QWWNWZGNCMEIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c18-12-16-10-9-15-8-4-2-1-3-5-11-17-13(19)6-7-14(17)20/h6-7,12,15H,1-5,8-11H2,(H,16,18).
What are the key properties of N-[2-[7-(2,5-dioxopyrrol-1-yl)heptylamino]ethyl]formamide?
N-[2-[7-(2,5-dioxopyrrol-1-yl)heptylamino]ethyl]formamide has a molecular weight of 281.36 g/mol, XLogP of 0.20, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(2,5-dioxopyrrol-1-yl)heptylamino]ethyl]formamide is sourced from PubChem (CID 177148966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).