N-[(E)-3-methylbut-1-enyl]acetamide;N-[(E)-3-methylbut-1-enyl]formamide;N-[(E)-3-methylbut-1-enyl]propanamide;3-methyl-N-[(E)-3-methylbut-1-enyl]butanamide

C31H58N4O4 — CID 162037101

IUPACN-[(E)-3-methylbut-1-enyl]acetamide;N-[(E)-3-methylbut-1-enyl]formamide;N-[(E)-3-methylbut-1-enyl]propanamide;3-methyl-N-[(E)-3-methylbut-1-enyl]butanamide
SMILESCC(=O)N/C=C/C(C)C.CC(C)/C=C/NC(=O)CC(C)C.CC(C)/C=C/NC=O.CCC(=O)N/C=C/C(C)C
InChIInChI=1S/C10H19NO.C8H15NO.C7H13NO.C6H11NO/c1-8(2)5-6-11-10(12)7-9(3)4;1-4-8(10)9-6-5-7(2)3;1-6(2)4-5-8-7(3)9;1-6(2)3-4-7-5-8/h5-6,8-9H,7H2,1-4H3,(H,11,12);5-7H,4H2,1-3H3,(H,9,10);4-6H,1-3H3,(H,8,9);3-6H,1-2H3,(H,7,8)/b2*6-5+;5-4+;4-3+
InChIKeyYWUFGWAEIIRIJP-FJJHAEDPSA-N
MW550.83 g/mol
LogP6.20
Rot. Bonds12

About N-[(E)-3-methylbut-1-enyl]acetamide;N-[(E)-3-methylbut-1-enyl]formamide;N-[(E)-3-methylbut-1-enyl]propanamide;3-methyl-N-[(E)-3-methylbut-1-enyl]butanamide

N-[(E)-3-methylbut-1-enyl]acetamide;N-[(E)-3-methylbut-1-enyl]formamide;N-[(E)-3-methylbut-1-enyl]propanamide;3-methyl-N-[(E)-3-methylbut-1-enyl]butanamide (PubChem CID 162037101) has the molecular formula C31H58N4O4 and a molecular weight of 550.83 g/mol. Its IUPAC name is N-[(E)-3-methylbut-1-enyl]acetamide;N-[(E)-3-methylbut-1-enyl]formamide;N-[(E)-3-methylbut-1-enyl]propanamide;3-methyl-N-[(E)-3-methylbut-1-enyl]butanamide.

Molecular Properties

Compound NameN-[(E)-3-methylbut-1-enyl]acetamide;N-[(E)-3-methylbut-1-enyl]formamide;N-[(E)-3-methylbut-1-enyl]propanamide;3-methyl-N-[(E)-3-methylbut-1-enyl]butanamide
PubChem CID162037101
Molecular FormulaC31H58N4O4
Molecular Weight550.83 g/mol
Exact Mass550.45
IUPAC NameN-[(E)-3-methylbut-1-enyl]acetamide;N-[(E)-3-methylbut-1-enyl]formamide;N-[(E)-3-methylbut-1-enyl]propanamide;3-methyl-N-[(E)-3-methylbut-1-enyl]butanamide
SMILESCC(=O)N/C=C/C(C)C.CC(C)/C=C/NC(=O)CC(C)C.CC(C)/C=C/NC=O.CCC(=O)N/C=C/C(C)C
InChIInChI=1S/C10H19NO.C8H15NO.C7H13NO.C6H11NO/c1-8(2)5-6-11-10(12)7-9(3)4;1-4-8(10)9-6-5-7(2)3;1-6(2)4-5-8-7(3)9;1-6(2)3-4-7-5-8/h5-6,8-9H,7H2,1-4H3,(H,11,12);5-7H,4H2,1-3H3,(H,9,10);4-6H,1-3H3,(H,8,9);3-6H,1-2H3,(H,7,8)/b2*6-5+;5-4+;4-3+
InChIKeyYWUFGWAEIIRIJP-FJJHAEDPSA-N
XLogP6.20
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.83
LogP ≤ 56.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(E)-3-methylbut-1-enyl]acetamide;N-[(E)-3-methylbut-1-enyl]formamide;N-[(E)-3-methylbut-1-enyl]propanamide;3-methyl-N-[(E)-3-methylbut-1-enyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-methylbut-1-enyl]acetamide;N-[(E)-3-methylbut-1-enyl]formamide;N-[(E)-3-methylbut-1-enyl]propanamide;3-methyl-N-[(E)-3-methylbut-1-enyl]butanamide?
The IUPAC name of N-[(E)-3-methylbut-1-enyl]acetamide;N-[(E)-3-methylbut-1-enyl]formamide;N-[(E)-3-methylbut-1-enyl]propanamide;3-methyl-N-[(E)-3-methylbut-1-enyl]butanamide (CID 162037101) is N-[(E)-3-methylbut-1-enyl]acetamide;N-[(E)-3-methylbut-1-enyl]formamide;N-[(E)-3-methylbut-1-enyl]propanamide;3-methyl-N-[(E)-3-methylbut-1-enyl]butanamide.
What is the SMILES notation for N-[(E)-3-methylbut-1-enyl]acetamide;N-[(E)-3-methylbut-1-enyl]formamide;N-[(E)-3-methylbut-1-enyl]propanamide;3-methyl-N-[(E)-3-methylbut-1-enyl]butanamide?
The canonical SMILES for N-[(E)-3-methylbut-1-enyl]acetamide;N-[(E)-3-methylbut-1-enyl]formamide;N-[(E)-3-methylbut-1-enyl]propanamide;3-methyl-N-[(E)-3-methylbut-1-enyl]butanamide is CC(=O)N/C=C/C(C)C.CC(C)/C=C/NC(=O)CC(C)C.CC(C)/C=C/NC=O.CCC(=O)N/C=C/C(C)C.
What is the InChIKey of N-[(E)-3-methylbut-1-enyl]acetamide;N-[(E)-3-methylbut-1-enyl]formamide;N-[(E)-3-methylbut-1-enyl]propanamide;3-methyl-N-[(E)-3-methylbut-1-enyl]butanamide?
The InChIKey is YWUFGWAEIIRIJP-FJJHAEDPSA-N. The full InChI is InChI=1S/C10H19NO.C8H15NO.C7H13NO.C6H11NO/c1-8(2)5-6-11-10(12)7-9(3)4;1-4-8(10)9-6-5-7(2)3;1-6(2)4-5-8-7(3)9;1-6(2)3-4-7-5-8/h5-6,8-9H,7H2,1-4H3,(H,11,12);5-7H,4H2,1-3H3,(H,9,10);4-6H,1-3H3,(H,8,9);3-6H,1-2H3,(H,7,8)/b2*6-5+;5-4+;4-3+.
What are the key properties of N-[(E)-3-methylbut-1-enyl]acetamide;N-[(E)-3-methylbut-1-enyl]formamide;N-[(E)-3-methylbut-1-enyl]propanamide;3-methyl-N-[(E)-3-methylbut-1-enyl]butanamide?
N-[(E)-3-methylbut-1-enyl]acetamide;N-[(E)-3-methylbut-1-enyl]formamide;N-[(E)-3-methylbut-1-enyl]propanamide;3-methyl-N-[(E)-3-methylbut-1-enyl]butanamide has a molecular weight of 550.83 g/mol, XLogP of 6.20, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-methylbut-1-enyl]acetamide;N-[(E)-3-methylbut-1-enyl]formamide;N-[(E)-3-methylbut-1-enyl]propanamide;3-methyl-N-[(E)-3-methylbut-1-enyl]butanamide is sourced from PubChem (CID 162037101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).