N-[3-(ethylamino)-3-oxopropyl]-2-methylprop-2-enamide

C9H16N2O2 — CID 87413297

IUPACN-[3-(ethylamino)-3-oxopropyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC(=O)NCC
InChIInChI=1S/C9H16N2O2/c1-4-10-8(12)5-6-11-9(13)7(2)3/h2,4-6H2,1,3H3,(H,10,12)(H,11,13)
InChIKeyKBZFNECEEORKJO-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.20
Rot. Bonds5

About N-[3-(ethylamino)-3-oxopropyl]-2-methylprop-2-enamide

N-[3-(ethylamino)-3-oxopropyl]-2-methylprop-2-enamide (PubChem CID 87413297) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-[3-(ethylamino)-3-oxopropyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(ethylamino)-3-oxopropyl]-2-methylprop-2-enamide
PubChem CID87413297
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-[3-(ethylamino)-3-oxopropyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC(=O)NCC
InChIInChI=1S/C9H16N2O2/c1-4-10-8(12)5-6-11-9(13)7(2)3/h2,4-6H2,1,3H3,(H,10,12)(H,11,13)
InChIKeyKBZFNECEEORKJO-UHFFFAOYSA-N
XLogP0.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(octadecylamino)-3-oxopropyl]prop-2-enamide
CID 176871830
N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide
CID 22292211
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
ethyl 4-[2-(2-methylprop-2-enoylamino)ethylamino]-4-oxobutanoate
CID 138741807
2-(azetidin-3-ylidene)-N-[3-(ethylamino)-3-oxopropyl]propanamide
CID 116678900
N-(3,3-difluoropropyl)-2-methylprop-2-enamide
CID 89332583
N-icosyl-2-methylprop-2-enamide
CID 22336363
N-[3-[[3-(ethylamino)-3-oxopropyl]amino]-3-oxopropyl]-4-oxohexanamide
CID 178008548
7-[3-(2-methylprop-2-enoylamino)propylamino]-7-oxoheptanoic acid
CID 118143870
N-[3-(2-methylprop-2-enoylamino)propyl]-10-sulfanyldecanamide
CID 118143798
ethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide
CID 145071357

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)-3-oxopropyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-(ethylamino)-3-oxopropyl]-2-methylprop-2-enamide (CID 87413297) is N-[3-(ethylamino)-3-oxopropyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-(ethylamino)-3-oxopropyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-(ethylamino)-3-oxopropyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCC(=O)NCC.
What is the InChIKey of N-[3-(ethylamino)-3-oxopropyl]-2-methylprop-2-enamide?
The InChIKey is KBZFNECEEORKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-10-8(12)5-6-11-9(13)7(2)3/h2,4-6H2,1,3H3,(H,10,12)(H,11,13).
What are the key properties of N-[3-(ethylamino)-3-oxopropyl]-2-methylprop-2-enamide?
N-[3-(ethylamino)-3-oxopropyl]-2-methylprop-2-enamide has a molecular weight of 184.24 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)-3-oxopropyl]-2-methylprop-2-enamide is sourced from PubChem (CID 87413297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).