(Z)-2-[acetyl(methyl)amino]-N-methyl-4-(methylamino)but-3-enamide

C9H17N3O2 — CID 59881787

IUPAC(Z)-2-[acetyl(methyl)amino]-N-methyl-4-(methylamino)but-3-enamide
SMILESCN/C=C\C(C(=O)NC)N(C)C(C)=O
InChIInChI=1S/C9H17N3O2/c1-7(13)12(4)8(5-6-10-2)9(14)11-3/h5-6,8,10H,1-4H3,(H,11,14)/b6-5-
InChIKeyRVCNFGHGICYNLN-WAYWQWQTSA-N
MW199.25 g/mol
LogP-0.69
Rot. Bonds4

About (Z)-2-[acetyl(methyl)amino]-N-methyl-4-(methylamino)but-3-enamide

(Z)-2-[acetyl(methyl)amino]-N-methyl-4-(methylamino)but-3-enamide (PubChem CID 59881787) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is (Z)-2-[acetyl(methyl)amino]-N-methyl-4-(methylamino)but-3-enamide.

Molecular Properties

Compound Name(Z)-2-[acetyl(methyl)amino]-N-methyl-4-(methylamino)but-3-enamide
PubChem CID59881787
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name(Z)-2-[acetyl(methyl)amino]-N-methyl-4-(methylamino)but-3-enamide
SMILESCN/C=C\C(C(=O)NC)N(C)C(C)=O
InChIInChI=1S/C9H17N3O2/c1-7(13)12(4)8(5-6-10-2)9(14)11-3/h5-6,8,10H,1-4H3,(H,11,14)/b6-5-
InChIKeyRVCNFGHGICYNLN-WAYWQWQTSA-N
XLogP-0.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[acetyl(methyl)amino]-N-methyl-4-(methylamino)but-3-enamide?
The IUPAC name of (Z)-2-[acetyl(methyl)amino]-N-methyl-4-(methylamino)but-3-enamide (CID 59881787) is (Z)-2-[acetyl(methyl)amino]-N-methyl-4-(methylamino)but-3-enamide.
What is the SMILES notation for (Z)-2-[acetyl(methyl)amino]-N-methyl-4-(methylamino)but-3-enamide?
The canonical SMILES for (Z)-2-[acetyl(methyl)amino]-N-methyl-4-(methylamino)but-3-enamide is CN/C=C\C(C(=O)NC)N(C)C(C)=O.
What is the InChIKey of (Z)-2-[acetyl(methyl)amino]-N-methyl-4-(methylamino)but-3-enamide?
The InChIKey is RVCNFGHGICYNLN-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7(13)12(4)8(5-6-10-2)9(14)11-3/h5-6,8,10H,1-4H3,(H,11,14)/b6-5-.
What are the key properties of (Z)-2-[acetyl(methyl)amino]-N-methyl-4-(methylamino)but-3-enamide?
(Z)-2-[acetyl(methyl)amino]-N-methyl-4-(methylamino)but-3-enamide has a molecular weight of 199.25 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[acetyl(methyl)amino]-N-methyl-4-(methylamino)but-3-enamide is sourced from PubChem (CID 59881787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).