N'-amino-4-ethoxy-4-methylpentanehydrazide;3-(2,5-dioxopyrrol-1-yl)propanamide;ethane

C19H39N5O5 — CID 169243801

IUPACN'-amino-4-ethoxy-4-methylpentanehydrazide;3-(2,5-dioxopyrrol-1-yl)propanamide;ethane
SMILESCC.CC.CCOC(C)(C)CCC(=O)NNN.NC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C8H19N3O2.C7H8N2O3.2C2H6/c1-4-13-8(2,3)6-5-7(12)10-11-9;8-5(10)3-4-9-6(11)1-2-7(9)12;2*1-2/h11H,4-6,9H2,1-3H3,(H,10,12);1-2H,3-4H2,(H2,8,10);2*1-2H3
InChIKeyWHIIHOUAXPBQKU-UHFFFAOYSA-N
MW417.55 g/mol
LogP0.92
Rot. Bonds9

About N'-amino-4-ethoxy-4-methylpentanehydrazide;3-(2,5-dioxopyrrol-1-yl)propanamide;ethane

N'-amino-4-ethoxy-4-methylpentanehydrazide;3-(2,5-dioxopyrrol-1-yl)propanamide;ethane (PubChem CID 169243801) has the molecular formula C19H39N5O5 and a molecular weight of 417.55 g/mol. Its IUPAC name is N'-amino-4-ethoxy-4-methylpentanehydrazide;3-(2,5-dioxopyrrol-1-yl)propanamide;ethane.

Molecular Properties

Compound NameN'-amino-4-ethoxy-4-methylpentanehydrazide;3-(2,5-dioxopyrrol-1-yl)propanamide;ethane
PubChem CID169243801
Molecular FormulaC19H39N5O5
Molecular Weight417.55 g/mol
Exact Mass417.30
IUPAC NameN'-amino-4-ethoxy-4-methylpentanehydrazide;3-(2,5-dioxopyrrol-1-yl)propanamide;ethane
SMILESCC.CC.CCOC(C)(C)CCC(=O)NNN.NC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C8H19N3O2.C7H8N2O3.2C2H6/c1-4-13-8(2,3)6-5-7(12)10-11-9;8-5(10)3-4-9-6(11)1-2-7(9)12;2*1-2/h11H,4-6,9H2,1-3H3,(H,10,12);1-2H,3-4H2,(H2,8,10);2*1-2H3
InChIKeyWHIIHOUAXPBQKU-UHFFFAOYSA-N
XLogP0.92
TPSA156.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dioxopyrrol-1-yl)-N-[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]propanamide
CID 123808310
10-(2,5-dioxopyrrol-1-yl)decanamide
CID 134211555
N-(3,3-dimethylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 118446686
tert-butyl N-[3-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-3-oxopropyl]amino]amino]propanoylamino]carbamate
CID 129177466
3-(2,5-dioxopyrrol-1-yl)-N-[4-methyl-4-[3-methyl-3-(3-oxopropoxy)butoxy]pentyl]propanamide
CID 170232014
CID 171851641
CID 171851641
3-[3-(2-amino-2-oxoethyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-(3-ethoxy-3-methylbutyl)propanamide
CID 126672402
4-(3,3-dimethylpentoxy)-4-methylpentanamide;ethane
CID 156884875
tert-butyl N-[[4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanoyl]amino]carbamate
CID 71004159
N-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-4-ethoxy-4-methylpentanamide
CID 137465708
5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane
CID 145076729
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-methyl-5-oxopentan-2-yl]sulfinyl-4-methylpentanamide
CID 159317108

Frequently Asked Questions

What is the IUPAC name of N'-amino-4-ethoxy-4-methylpentanehydrazide;3-(2,5-dioxopyrrol-1-yl)propanamide;ethane?
The IUPAC name of N'-amino-4-ethoxy-4-methylpentanehydrazide;3-(2,5-dioxopyrrol-1-yl)propanamide;ethane (CID 169243801) is N'-amino-4-ethoxy-4-methylpentanehydrazide;3-(2,5-dioxopyrrol-1-yl)propanamide;ethane.
What is the SMILES notation for N'-amino-4-ethoxy-4-methylpentanehydrazide;3-(2,5-dioxopyrrol-1-yl)propanamide;ethane?
The canonical SMILES for N'-amino-4-ethoxy-4-methylpentanehydrazide;3-(2,5-dioxopyrrol-1-yl)propanamide;ethane is CC.CC.CCOC(C)(C)CCC(=O)NNN.NC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N'-amino-4-ethoxy-4-methylpentanehydrazide;3-(2,5-dioxopyrrol-1-yl)propanamide;ethane?
The InChIKey is WHIIHOUAXPBQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2.C7H8N2O3.2C2H6/c1-4-13-8(2,3)6-5-7(12)10-11-9;8-5(10)3-4-9-6(11)1-2-7(9)12;2*1-2/h11H,4-6,9H2,1-3H3,(H,10,12);1-2H,3-4H2,(H2,8,10);2*1-2H3.
What are the key properties of N'-amino-4-ethoxy-4-methylpentanehydrazide;3-(2,5-dioxopyrrol-1-yl)propanamide;ethane?
N'-amino-4-ethoxy-4-methylpentanehydrazide;3-(2,5-dioxopyrrol-1-yl)propanamide;ethane has a molecular weight of 417.55 g/mol, XLogP of 0.92, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-ethoxy-4-methylpentanehydrazide;3-(2,5-dioxopyrrol-1-yl)propanamide;ethane is sourced from PubChem (CID 169243801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).