N-[2-[hydroxy(methyl)amino]ethyl]formamide;3-methyl-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione

C18H35N3O7 — CID 165403649

IUPACN-[2-[hydroxy(methyl)amino]ethyl]formamide;3-methyl-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione
SMILESCCCOCCOCCOCCN1C(=O)CC(C)C1=O.CN(O)CCNC=O
InChIInChI=1S/C14H25NO5.C4H10N2O2/c1-3-5-18-7-9-20-10-8-19-6-4-15-13(16)11-12(2)14(15)17;1-6(8)3-2-5-4-7/h12H,3-11H2,1-2H3;4,8H,2-3H2,1H3,(H,5,7)
InChIKeyHTDDXSAFHRCYBG-UHFFFAOYSA-N
MW405.49 g/mol
LogP-0.11
Rot. Bonds15

About N-[2-[hydroxy(methyl)amino]ethyl]formamide;3-methyl-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione

N-[2-[hydroxy(methyl)amino]ethyl]formamide;3-methyl-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione (PubChem CID 165403649) has the molecular formula C18H35N3O7 and a molecular weight of 405.49 g/mol. Its IUPAC name is N-[2-[hydroxy(methyl)amino]ethyl]formamide;3-methyl-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound NameN-[2-[hydroxy(methyl)amino]ethyl]formamide;3-methyl-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione
PubChem CID165403649
Molecular FormulaC18H35N3O7
Molecular Weight405.49 g/mol
Exact Mass405.25
IUPAC NameN-[2-[hydroxy(methyl)amino]ethyl]formamide;3-methyl-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione
SMILESCCCOCCOCCOCCN1C(=O)CC(C)C1=O.CN(O)CCNC=O
InChIInChI=1S/C14H25NO5.C4H10N2O2/c1-3-5-18-7-9-20-10-8-19-6-4-15-13(16)11-12(2)14(15)17;1-6(8)3-2-5-4-7/h12H,3-11H2,1-2H3;4,8H,2-3H2,1H3,(H,5,7)
InChIKeyHTDDXSAFHRCYBG-UHFFFAOYSA-N
XLogP-0.11
TPSA117.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione
CID 164585890
3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione
CID 71056162
1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione
CID 103482320
3-methyl-1-[2-[2-[(3-methyloxiran-2-yl)methoxy]ethoxy]ethyl]pyrrolidine-2,5-dione
CID 134408422
N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 163865588
3-[(2-formamidoacetyl)amino]-N-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]propanamide
CID 156543086
1-butyl-3-methylpyrrolidine-2,5-dione
CID 15757781
(3S)-1-butyl-3-methylpyrrolidine-2,5-dione
CID 98085422
4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanal
CID 142459626
3-methyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione
CID 54496273
1-[2-[2-[2-[2-[3-(4-iodopiperidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione
CID 145076750
N'-[1-formamido-4-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethylamino]-1,4-dioxobutan-2-yl]-N-[1-(methylamino)-4-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethylamino]-1,4-dioxobutan-2-yl]pentanediamide
CID 59481978

Frequently Asked Questions

What is the IUPAC name of N-[2-[hydroxy(methyl)amino]ethyl]formamide;3-methyl-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of N-[2-[hydroxy(methyl)amino]ethyl]formamide;3-methyl-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione (CID 165403649) is N-[2-[hydroxy(methyl)amino]ethyl]formamide;3-methyl-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for N-[2-[hydroxy(methyl)amino]ethyl]formamide;3-methyl-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for N-[2-[hydroxy(methyl)amino]ethyl]formamide;3-methyl-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione is CCCOCCOCCOCCN1C(=O)CC(C)C1=O.CN(O)CCNC=O.
What is the InChIKey of N-[2-[hydroxy(methyl)amino]ethyl]formamide;3-methyl-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione?
The InChIKey is HTDDXSAFHRCYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5.C4H10N2O2/c1-3-5-18-7-9-20-10-8-19-6-4-15-13(16)11-12(2)14(15)17;1-6(8)3-2-5-4-7/h12H,3-11H2,1-2H3;4,8H,2-3H2,1H3,(H,5,7).
What are the key properties of N-[2-[hydroxy(methyl)amino]ethyl]formamide;3-methyl-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione?
N-[2-[hydroxy(methyl)amino]ethyl]formamide;3-methyl-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione has a molecular weight of 405.49 g/mol, XLogP of -0.11, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[hydroxy(methyl)amino]ethyl]formamide;3-methyl-1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 165403649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).