6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide;N-[2-(ethoxymethylamino)-2-oxoethyl]-2-[(2-formamidoacetyl)amino]-N-methyl-3-phenylpropanamide

C30H44N6O8 — CID 170741541

IUPAC6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide;N-[2-(ethoxymethylamino)-2-oxoethyl]-2-[(2-formamidoacetyl)amino]-N-methyl-3-phenylpropanamide
SMILESCCNC(=O)CCCCCN1C(=O)C=CC1=O.CCOCNC(=O)CN(C)C(=O)C(Cc1ccccc1)NC(=O)CNC=O
InChIInChI=1S/C18H26N4O5.C12H18N2O3/c1-3-27-13-20-17(25)11-22(2)18(26)15(21-16(24)10-19-12-23)9-14-7-5-4-6-8-14;1-2-13-10(15)6-4-3-5-9-14-11(16)7-8-12(14)17/h4-8,12,15H,3,9-11,13H2,1-2H3,(H,19,23)(H,20,25)(H,21,24);7-8H,2-6,9H2,1H3,(H,13,15)
InChIKeyRYQOILGYNRPMQB-UHFFFAOYSA-N
MW616.72 g/mol
LogP-0.36
Rot. Bonds19

About 6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide;N-[2-(ethoxymethylamino)-2-oxoethyl]-2-[(2-formamidoacetyl)amino]-N-methyl-3-phenylpropanamide

6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide;N-[2-(ethoxymethylamino)-2-oxoethyl]-2-[(2-formamidoacetyl)amino]-N-methyl-3-phenylpropanamide (PubChem CID 170741541) has the molecular formula C30H44N6O8 and a molecular weight of 616.72 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide;N-[2-(ethoxymethylamino)-2-oxoethyl]-2-[(2-formamidoacetyl)amino]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide;N-[2-(ethoxymethylamino)-2-oxoethyl]-2-[(2-formamidoacetyl)amino]-N-methyl-3-phenylpropanamide
PubChem CID170741541
Molecular FormulaC30H44N6O8
Molecular Weight616.72 g/mol
Exact Mass616.32
IUPAC Name6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide;N-[2-(ethoxymethylamino)-2-oxoethyl]-2-[(2-formamidoacetyl)amino]-N-methyl-3-phenylpropanamide
SMILESCCNC(=O)CCCCCN1C(=O)C=CC1=O.CCOCNC(=O)CN(C)C(=O)C(Cc1ccccc1)NC(=O)CNC=O
InChIInChI=1S/C18H26N4O5.C12H18N2O3/c1-3-27-13-20-17(25)11-22(2)18(26)15(21-16(24)10-19-12-23)9-14-7-5-4-6-8-14;1-2-13-10(15)6-4-3-5-9-14-11(16)7-8-12(14)17/h4-8,12,15H,3,9-11,13H2,1-2H3,(H,19,23)(H,20,25)(H,21,24);7-8H,2-6,9H2,1H3,(H,13,15)
InChIKeyRYQOILGYNRPMQB-UHFFFAOYSA-N
XLogP-0.36
TPSA183.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.72
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide;N-[2-(ethoxymethylamino)-2-oxoethyl]-2-[(2-formamidoacetyl)amino]-N-methyl-3-phenylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide;N-[2-(ethoxymethylamino)-2-oxoethyl]-2-[(2-formamidoacetyl)amino]-N-methyl-3-phenylpropanamide?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide;N-[2-(ethoxymethylamino)-2-oxoethyl]-2-[(2-formamidoacetyl)amino]-N-methyl-3-phenylpropanamide (CID 170741541) is 6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide;N-[2-(ethoxymethylamino)-2-oxoethyl]-2-[(2-formamidoacetyl)amino]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide;N-[2-(ethoxymethylamino)-2-oxoethyl]-2-[(2-formamidoacetyl)amino]-N-methyl-3-phenylpropanamide?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide;N-[2-(ethoxymethylamino)-2-oxoethyl]-2-[(2-formamidoacetyl)amino]-N-methyl-3-phenylpropanamide is CCNC(=O)CCCCCN1C(=O)C=CC1=O.CCOCNC(=O)CN(C)C(=O)C(Cc1ccccc1)NC(=O)CNC=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide;N-[2-(ethoxymethylamino)-2-oxoethyl]-2-[(2-formamidoacetyl)amino]-N-methyl-3-phenylpropanamide?
The InChIKey is RYQOILGYNRPMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5.C12H18N2O3/c1-3-27-13-20-17(25)11-22(2)18(26)15(21-16(24)10-19-12-23)9-14-7-5-4-6-8-14;1-2-13-10(15)6-4-3-5-9-14-11(16)7-8-12(14)17/h4-8,12,15H,3,9-11,13H2,1-2H3,(H,19,23)(H,20,25)(H,21,24);7-8H,2-6,9H2,1H3,(H,13,15).
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide;N-[2-(ethoxymethylamino)-2-oxoethyl]-2-[(2-formamidoacetyl)amino]-N-methyl-3-phenylpropanamide?
6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide;N-[2-(ethoxymethylamino)-2-oxoethyl]-2-[(2-formamidoacetyl)amino]-N-methyl-3-phenylpropanamide has a molecular weight of 616.72 g/mol, XLogP of -0.36, 19 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide;N-[2-(ethoxymethylamino)-2-oxoethyl]-2-[(2-formamidoacetyl)amino]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 170741541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).