(E)-N-(4-acetamidobutyl)-4-(dimethylamino)but-2-enamide

C12H23N3O2 — CID 142551928

IUPAC(E)-N-(4-acetamidobutyl)-4-(dimethylamino)but-2-enamide
SMILESCC(=O)NCCCCNC(=O)/C=C/CN(C)C
InChIInChI=1S/C12H23N3O2/c1-11(16)13-8-4-5-9-14-12(17)7-6-10-15(2)3/h6-7H,4-5,8-10H2,1-3H3,(H,13,16)(H,14,17)/b7-6+
InChIKeyWPEYDMVVRHSWEU-VOTSOKGWSA-N
MW241.33 g/mol
LogP0.14
Rot. Bonds8

About (E)-N-(4-acetamidobutyl)-4-(dimethylamino)but-2-enamide

(E)-N-(4-acetamidobutyl)-4-(dimethylamino)but-2-enamide (PubChem CID 142551928) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (E)-N-(4-acetamidobutyl)-4-(dimethylamino)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-acetamidobutyl)-4-(dimethylamino)but-2-enamide
PubChem CID142551928
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(E)-N-(4-acetamidobutyl)-4-(dimethylamino)but-2-enamide
SMILESCC(=O)NCCCCNC(=O)/C=C/CN(C)C
InChIInChI=1S/C12H23N3O2/c1-11(16)13-8-4-5-9-14-12(17)7-6-10-15(2)3/h6-7H,4-5,8-10H2,1-3H3,(H,13,16)(H,14,17)/b7-6+
InChIKeyWPEYDMVVRHSWEU-VOTSOKGWSA-N
XLogP0.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-acetamidobutyl)-4-(dimethylamino)but-2-enamide?
The IUPAC name of (E)-N-(4-acetamidobutyl)-4-(dimethylamino)but-2-enamide (CID 142551928) is (E)-N-(4-acetamidobutyl)-4-(dimethylamino)but-2-enamide.
What is the SMILES notation for (E)-N-(4-acetamidobutyl)-4-(dimethylamino)but-2-enamide?
The canonical SMILES for (E)-N-(4-acetamidobutyl)-4-(dimethylamino)but-2-enamide is CC(=O)NCCCCNC(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-N-(4-acetamidobutyl)-4-(dimethylamino)but-2-enamide?
The InChIKey is WPEYDMVVRHSWEU-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-11(16)13-8-4-5-9-14-12(17)7-6-10-15(2)3/h6-7H,4-5,8-10H2,1-3H3,(H,13,16)(H,14,17)/b7-6+.
What are the key properties of (E)-N-(4-acetamidobutyl)-4-(dimethylamino)but-2-enamide?
(E)-N-(4-acetamidobutyl)-4-(dimethylamino)but-2-enamide has a molecular weight of 241.33 g/mol, XLogP of 0.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-acetamidobutyl)-4-(dimethylamino)but-2-enamide is sourced from PubChem (CID 142551928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).