N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide

C14H26N2O2 — CID 88595485

IUPACN-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide
SMILESC=C(C)C(=O)NCCCC.CC/C=C(\C)C(N)=O
InChIInChI=1S/C8H15NO.C6H11NO/c1-4-5-6-9-8(10)7(2)3;1-3-4-5(2)6(7)8/h2,4-6H2,1,3H3,(H,9,10);4H,3H2,1-2H3,(H2,7,8)/b;5-4+
InChIKeySPHLTKCSJKFXEA-RCKHEGBHSA-N
MW254.37 g/mol
LogP2.31
Rot. Bonds6

About N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide

N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide (PubChem CID 88595485) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide
PubChem CID88595485
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide
SMILESC=C(C)C(=O)NCCCC.CC/C=C(\C)C(N)=O
InChIInChI=1S/C8H15NO.C6H11NO/c1-4-5-6-9-8(10)7(2)3;1-3-4-5(2)6(7)8/h2,4-6H2,1,3H3,(H,9,10);4H,3H2,1-2H3,(H2,7,8)/b;5-4+
InChIKeySPHLTKCSJKFXEA-RCKHEGBHSA-N
XLogP2.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide with MolForge

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

Launch Full Analysis

Related Compounds

Kenalactam C
CID 145720934
(3E,5E,7E,9Z,11Z,13S,17E,19E,21E,23E,25Z,27Z,29S)-3,13,17,19,29-pentamethyl-1,15-diazacyclotriaconta-3,5,7,9,11,17,19,21,23,25,27-undecaene-2,16-dione
CID 155569276
(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
CID 57408889
4-(dimethylamino)butyl-dimethyl-[3-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]propyl]azanium
CID 166627509
N-(3-aminopropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
CID 14305438
(2E)-N-(3-aminopropyl)-3,7-dimethylocta-2,6-dienamide
CID 60168428
(2E)-N-[3-(3-aminopropylamino)propyl]-3,7-dimethylocta-2,6-dienamide
CID 60168613
(2E)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,7-dimethylocta-2,6-dienamide
CID 60168616
(E)-2-methyl-N-[4-[3-[[(E)-2-methylbut-2-enoyl]amino]propylamino]butyl]but-2-enamide
CID 11666725
2-methyl-N-[4-[3-(2-methylbut-2-enoylamino)propylamino]butyl]but-2-enamide
CID 73047750
N-(2-methylpropyl)-2-methylbutenamide
CID 76526197
N-isobutyl-2,6-decadienamide
CID 129834243

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide?
The IUPAC name of N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide (CID 88595485) is N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide.
What is the SMILES notation for N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide?
The canonical SMILES for N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide is C=C(C)C(=O)NCCCC.CC/C=C(\C)C(N)=O.
What is the InChIKey of N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide?
The InChIKey is SPHLTKCSJKFXEA-RCKHEGBHSA-N. The full InChI is InChI=1S/C8H15NO.C6H11NO/c1-4-5-6-9-8(10)7(2)3;1-3-4-5(2)6(7)8/h2,4-6H2,1,3H3,(H,9,10);4H,3H2,1-2H3,(H2,7,8)/b;5-4+.
What are the key properties of N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide?
N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide has a molecular weight of 254.37 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methylprop-2-enamide;(E)-2-methylpent-2-enamide is sourced from PubChem (CID 88595485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).