ethane;2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide;N-(2-oxopropyl)acetamide

C19H42N4O3 — CID 169248896

IUPACethane;2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide;N-(2-oxopropyl)acetamide
SMILESC=CCC(C)(C)NCC(NC)C(N)=O.CC.CC.CC(=O)CNC(C)=O
InChIInChI=1S/C10H21N3O.C5H9NO2.2C2H6/c1-5-6-10(2,3)13-7-8(12-4)9(11)14;1-4(7)3-6-5(2)8;2*1-2/h5,8,12-13H,1,6-7H2,2-4H3,(H2,11,14);3H2,1-2H3,(H,6,8);2*1-2H3
InChIKeyPDOHEXRGQHGGQA-UHFFFAOYSA-N
MW374.57 g/mol
LogP1.77
Rot. Bonds9

About ethane;2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide;N-(2-oxopropyl)acetamide

ethane;2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide;N-(2-oxopropyl)acetamide (PubChem CID 169248896) has the molecular formula C19H42N4O3 and a molecular weight of 374.57 g/mol. Its IUPAC name is ethane;2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide;N-(2-oxopropyl)acetamide.

Molecular Properties

Compound Nameethane;2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide;N-(2-oxopropyl)acetamide
PubChem CID169248896
Molecular FormulaC19H42N4O3
Molecular Weight374.57 g/mol
Exact Mass374.33
IUPAC Nameethane;2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide;N-(2-oxopropyl)acetamide
SMILESC=CCC(C)(C)NCC(NC)C(N)=O.CC.CC.CC(=O)CNC(C)=O
InChIInChI=1S/C10H21N3O.C5H9NO2.2C2H6/c1-5-6-10(2,3)13-7-8(12-4)9(11)14;1-4(7)3-6-5(2)8;2*1-2/h5,8,12-13H,1,6-7H2,2-4H3,(H2,11,14);3H2,1-2H3,(H,6,8);2*1-2H3
InChIKeyPDOHEXRGQHGGQA-UHFFFAOYSA-N
XLogP1.77
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(But-3-enylamino)-2-[2-(methylamino)propanoylamino]propanamide
CID 123878283
N-[2-[[3-(ethylamino)-2-oxopropanoyl]amino]ethyl]but-3-enamide
CID 170209191
2-amino-N-(3-amino-3-methyl-2-oxobutyl)-N-methylacetamide;but-1-ene
CID 176672047
2-amino-N-[3-(tert-butylamino)-3-oxopropyl]pent-4-enamide
CID 113410062
N-(2-methylbutan-2-yl)-2-(pent-4-en-2-ylamino)propanamide
CID 115632099
2-(ethylamino)-2-methyl-N-pent-4-en-2-ylpropanamide
CID 116040715
2-methyl-2-(methylamino)-N-pent-4-en-2-ylpropanamide
CID 116040727
N-[3-(butan-2-ylamino)-3-oxopropyl]-N'-(3,3-dimethylpent-4-enyl)oxamide
CID 138056956
2-(Methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide
CID 169248897

Frequently Asked Questions

What is the IUPAC name of ethane;2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide;N-(2-oxopropyl)acetamide?
The IUPAC name of ethane;2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide;N-(2-oxopropyl)acetamide (CID 169248896) is ethane;2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide;N-(2-oxopropyl)acetamide.
What is the SMILES notation for ethane;2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide;N-(2-oxopropyl)acetamide?
The canonical SMILES for ethane;2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide;N-(2-oxopropyl)acetamide is C=CCC(C)(C)NCC(NC)C(N)=O.CC.CC.CC(=O)CNC(C)=O.
What is the InChIKey of ethane;2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide;N-(2-oxopropyl)acetamide?
The InChIKey is PDOHEXRGQHGGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O.C5H9NO2.2C2H6/c1-5-6-10(2,3)13-7-8(12-4)9(11)14;1-4(7)3-6-5(2)8;2*1-2/h5,8,12-13H,1,6-7H2,2-4H3,(H2,11,14);3H2,1-2H3,(H,6,8);2*1-2H3.
What are the key properties of ethane;2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide;N-(2-oxopropyl)acetamide?
ethane;2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide;N-(2-oxopropyl)acetamide has a molecular weight of 374.57 g/mol, XLogP of 1.77, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(methylamino)-3-(2-methylpent-4-en-2-ylamino)propanamide;N-(2-oxopropyl)acetamide is sourced from PubChem (CID 169248896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).