N-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

C12H18N4O5 — CID 58932751

IUPACN-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESNCNC(=O)COCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H18N4O5/c13-8-15-10(18)7-21-6-4-14-9(17)3-5-16-11(19)1-2-12(16)20/h1-2H,3-8,13H2,(H,14,17)(H,15,18)
InChIKeyINMPAMLAWRATAN-UHFFFAOYSA-N
MW298.30 g/mol
LogP-2.53
Rot. Bonds9

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

N-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 58932751) has the molecular formula C12H18N4O5 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID58932751
Molecular FormulaC12H18N4O5
Molecular Weight298.30 g/mol
Exact Mass298.13
IUPAC NameN-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESNCNC(=O)COCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H18N4O5/c13-8-15-10(18)7-21-6-4-14-9(17)3-5-16-11(19)1-2-12(16)20/h1-2H,3-8,13H2,(H,14,17)(H,15,18)
InChIKeyINMPAMLAWRATAN-UHFFFAOYSA-N
XLogP-2.53
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-2.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide
CID 90184424
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-oxo-2-(pentylamino)ethoxy]ethyl]propanamide
CID 18345573
3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-oxopropoxy)ethyl]propanamide
CID 22961656
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(methylamino)ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 22964483
3-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)propanamide
CID 23506200
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(methylamino)-2-oxoethoxy]ethyl]propanamide
CID 57648845
N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide
CID 58331274
N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxyprop-2-enamide
CID 58571158
3-(2,5-dioxopyrrol-1-yl)-N-(2-propoxyethyl)propanamide
CID 58785854
N-[2-[2-(5,5-diaminopentylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 58932741
Aldehyde-peg-maleimide
CID 58964081
N-[1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide
CID 59156932

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 58932751) is N-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is NCNC(=O)COCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is INMPAMLAWRATAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O5/c13-8-15-10(18)7-21-6-4-14-9(17)3-5-16-11(19)1-2-12(16)20/h1-2H,3-8,13H2,(H,14,17)(H,15,18).
What are the key properties of N-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 298.30 g/mol, XLogP of -2.53, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 58932751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).