2-amino-3-methyl-N-(2-oxopropyl)but-2-enamide;ethane;propylurea

C14H30N4O3 — CID 156839952

IUPAC2-amino-3-methyl-N-(2-oxopropyl)but-2-enamide;ethane;propylurea
SMILESCC.CC(=O)CNC(=O)C(N)=C(C)C.CCCNC(N)=O
InChIInChI=1S/C8H14N2O2.C4H10N2O.C2H6/c1-5(2)7(9)8(12)10-4-6(3)11;1-2-3-6-4(5)7;1-2/h4,9H2,1-3H3,(H,10,12);2-3H2,1H3,(H3,5,6,7);1-2H3
InChIKeyZDGWUDCMRVDZFK-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.04
Rot. Bonds5

About 2-amino-3-methyl-N-(2-oxopropyl)but-2-enamide;ethane;propylurea

2-amino-3-methyl-N-(2-oxopropyl)but-2-enamide;ethane;propylurea (PubChem CID 156839952) has the molecular formula C14H30N4O3 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2-oxopropyl)but-2-enamide;ethane;propylurea.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2-oxopropyl)but-2-enamide;ethane;propylurea
PubChem CID156839952
Molecular FormulaC14H30N4O3
Molecular Weight302.42 g/mol
Exact Mass302.23
IUPAC Name2-amino-3-methyl-N-(2-oxopropyl)but-2-enamide;ethane;propylurea
SMILESCC.CC(=O)CNC(=O)C(N)=C(C)C.CCCNC(N)=O
InChIInChI=1S/C8H14N2O2.C4H10N2O.C2H6/c1-5(2)7(9)8(12)10-4-6(3)11;1-2-3-6-4(5)7;1-2/h4,9H2,1-3H3,(H,10,12);2-3H2,1H3,(H3,5,6,7);1-2H3
InChIKeyZDGWUDCMRVDZFK-UHFFFAOYSA-N
XLogP1.04
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethane;prop-1-ene;propylurea
CID 142245891
2-(ethylamino)-3-methyl-N-(3-methyl-2-oxobutyl)but-2-enamide;propylurea
CID 178033953
2-oxo-N-propylpropanamide
CID 13291521
3-amino-2-methyl-N-propylbut-2-enamide
CID 77255889
propylurea;triethoxysilane
CID 161359868
(Z)-3-amino-2-methyl-N-propylbut-2-enamide;hydrochloride
CID 87330833
ethyl 2-oxo-2-(2-oxopropylamino)acetate
CID 57348900
ethane;2-hydroxyethylurea
CID 144763401
N'-[2-[[2-oxo-2-(propylamino)acetyl]amino]ethyl]oxamide
CID 86248796
pentylurea;hydrate
CID 172845599
2-oxopropylthiourea
CID 57042056
2-hydrazinyl-2-oxo-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 43567602

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2-oxopropyl)but-2-enamide;ethane;propylurea?
The IUPAC name of 2-amino-3-methyl-N-(2-oxopropyl)but-2-enamide;ethane;propylurea (CID 156839952) is 2-amino-3-methyl-N-(2-oxopropyl)but-2-enamide;ethane;propylurea.
What is the SMILES notation for 2-amino-3-methyl-N-(2-oxopropyl)but-2-enamide;ethane;propylurea?
The canonical SMILES for 2-amino-3-methyl-N-(2-oxopropyl)but-2-enamide;ethane;propylurea is CC.CC(=O)CNC(=O)C(N)=C(C)C.CCCNC(N)=O.
What is the InChIKey of 2-amino-3-methyl-N-(2-oxopropyl)but-2-enamide;ethane;propylurea?
The InChIKey is ZDGWUDCMRVDZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.C4H10N2O.C2H6/c1-5(2)7(9)8(12)10-4-6(3)11;1-2-3-6-4(5)7;1-2/h4,9H2,1-3H3,(H,10,12);2-3H2,1H3,(H3,5,6,7);1-2H3.
What are the key properties of 2-amino-3-methyl-N-(2-oxopropyl)but-2-enamide;ethane;propylurea?
2-amino-3-methyl-N-(2-oxopropyl)but-2-enamide;ethane;propylurea has a molecular weight of 302.42 g/mol, XLogP of 1.04, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2-oxopropyl)but-2-enamide;ethane;propylurea is sourced from PubChem (CID 156839952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).