N-[3-[[3-(dimethylamino)-3-oxoprop-1-en-2-yl]amino]-3-oxoprop-1-en-2-yl]-2-methylpropanamide

C12H19N3O3 — CID 89172089

IUPACN-[3-[[3-(dimethylamino)-3-oxoprop-1-en-2-yl]amino]-3-oxoprop-1-en-2-yl]-2-methylpropanamide
SMILESC=C(NC(=O)C(C)C)C(=O)NC(=C)C(=O)N(C)C
InChIInChI=1S/C12H19N3O3/c1-7(2)10(16)13-8(3)11(17)14-9(4)12(18)15(5)6/h7H,3-4H2,1-2,5-6H3,(H,13,16)(H,14,17)
InChIKeyFTYKRGBFDRGQSC-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.01
Rot. Bonds5

About N-[3-[[3-(dimethylamino)-3-oxoprop-1-en-2-yl]amino]-3-oxoprop-1-en-2-yl]-2-methylpropanamide

N-[3-[[3-(dimethylamino)-3-oxoprop-1-en-2-yl]amino]-3-oxoprop-1-en-2-yl]-2-methylpropanamide (PubChem CID 89172089) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[3-[[3-(dimethylamino)-3-oxoprop-1-en-2-yl]amino]-3-oxoprop-1-en-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[3-(dimethylamino)-3-oxoprop-1-en-2-yl]amino]-3-oxoprop-1-en-2-yl]-2-methylpropanamide
PubChem CID89172089
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[3-[[3-(dimethylamino)-3-oxoprop-1-en-2-yl]amino]-3-oxoprop-1-en-2-yl]-2-methylpropanamide
SMILESC=C(NC(=O)C(C)C)C(=O)NC(=C)C(=O)N(C)C
InChIInChI=1S/C12H19N3O3/c1-7(2)10(16)13-8(3)11(17)14-9(4)12(18)15(5)6/h7H,3-4H2,1-2,5-6H3,(H,13,16)(H,14,17)
InChIKeyFTYKRGBFDRGQSC-UHFFFAOYSA-N
XLogP-0.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N,3-trimethyl-2-methylidenebutanamide
CID 57080569
methyl N-(2-methylpropanoyl)carbamate
CID 59279110
N-carbamoyl-2-methylpropanamide
CID 541584
3-amino-N,N-dimethyl-2-methylidenebutanamide
CID 87194380
N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 108575110
N'-(2-methylpropanoyl)-N-propan-2-ylpropanediamide
CID 178083708
2-methyl-N-propanoylpropanamide
CID 13378668
2,2-dimethyl-N-(2-methylpropanoyl)propanamide
CID 130010818
CID 58987178
CID 58987178
N-(2-methylpropanoyl)pyrrolidine-1-carboxamide
CID 91389730
2-methyl-N-[(2R)-3-methylbut-3-en-2-yl]propanamide
CID 167135190
2-methyl-N-(1,2,4-triazol-4-yl)propanamide
CID 3617989

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(dimethylamino)-3-oxoprop-1-en-2-yl]amino]-3-oxoprop-1-en-2-yl]-2-methylpropanamide?
The IUPAC name of N-[3-[[3-(dimethylamino)-3-oxoprop-1-en-2-yl]amino]-3-oxoprop-1-en-2-yl]-2-methylpropanamide (CID 89172089) is N-[3-[[3-(dimethylamino)-3-oxoprop-1-en-2-yl]amino]-3-oxoprop-1-en-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[3-(dimethylamino)-3-oxoprop-1-en-2-yl]amino]-3-oxoprop-1-en-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[3-(dimethylamino)-3-oxoprop-1-en-2-yl]amino]-3-oxoprop-1-en-2-yl]-2-methylpropanamide is C=C(NC(=O)C(C)C)C(=O)NC(=C)C(=O)N(C)C.
What is the InChIKey of N-[3-[[3-(dimethylamino)-3-oxoprop-1-en-2-yl]amino]-3-oxoprop-1-en-2-yl]-2-methylpropanamide?
The InChIKey is FTYKRGBFDRGQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-7(2)10(16)13-8(3)11(17)14-9(4)12(18)15(5)6/h7H,3-4H2,1-2,5-6H3,(H,13,16)(H,14,17).
What are the key properties of N-[3-[[3-(dimethylamino)-3-oxoprop-1-en-2-yl]amino]-3-oxoprop-1-en-2-yl]-2-methylpropanamide?
N-[3-[[3-(dimethylamino)-3-oxoprop-1-en-2-yl]amino]-3-oxoprop-1-en-2-yl]-2-methylpropanamide has a molecular weight of 253.30 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(dimethylamino)-3-oxoprop-1-en-2-yl]amino]-3-oxoprop-1-en-2-yl]-2-methylpropanamide is sourced from PubChem (CID 89172089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).