N-tert-butylprop-2-enamide;butyl prop-2-enoate

C14H25NO3 — CID 87957377

IUPACN-tert-butylprop-2-enamide;butyl prop-2-enoate
SMILESC=CC(=O)NC(C)(C)C.C=CC(=O)OCCCC
InChIInChI=1S/C7H13NO.C7H12O2/c1-5-6(9)8-7(2,3)4;1-3-5-6-9-7(8)4-2/h5H,1H2,2-4H3,(H,8,9);4H,2-3,5-6H2,1H3
InChIKeyWORIINXTNQKKMY-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.60
Rot. Bonds5

About N-tert-butylprop-2-enamide;butyl prop-2-enoate

N-tert-butylprop-2-enamide;butyl prop-2-enoate (PubChem CID 87957377) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-tert-butylprop-2-enamide;butyl prop-2-enoate.

Molecular Properties

Compound NameN-tert-butylprop-2-enamide;butyl prop-2-enoate
PubChem CID87957377
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-tert-butylprop-2-enamide;butyl prop-2-enoate
SMILESC=CC(=O)NC(C)(C)C.C=CC(=O)OCCCC
InChIInChI=1S/C7H13NO.C7H12O2/c1-5-6(9)8-7(2,3)4;1-3-5-6-9-7(8)4-2/h5H,1H2,2-4H3,(H,8,9);4H,2-3,5-6H2,1H3
InChIKeyWORIINXTNQKKMY-UHFFFAOYSA-N
XLogP2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
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'}

Analyze N-tert-butylprop-2-enamide;butyl prop-2-enoate 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

n-Butylacrylate Acrylamide
CID 86584089
N-tert-butylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoic acid
CID 88203744
N-tert-butylprop-2-enamide;ethyl prop-2-enoate
CID 146290784
N-tert-Butylprop-2-enimidic acid--ethyl 2-methylprop-2-enoate (1/1)
CID 6455531
butyl prop-2-enoate;N-propan-2-ylprop-2-enamide
CID 87334080
N-tert-butylprop-2-enamide;methyl 2-methylprop-2-enoate
CID 88285334
potassium;N-tert-butylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoate
CID 44147810
Ethyl 4-(tert-butylamino)-4-oxobut-2-enoate
CID 53750547
2-Methylpropyl 4-(tert-butylamino)-4-oxobut-2-enoate
CID 54350542
Butyl 4-(tert-butylamino)-4-oxobut-2-enoate
CID 54380642
Methyl 4-(tert-butylamino)-4-oxobut-2-enoate
CID 54535415
[3-(Tert-butylamino)-3-oxopropyl] prop-2-enoate
CID 59532898

Frequently Asked Questions

What is the IUPAC name of N-tert-butylprop-2-enamide;butyl prop-2-enoate?
The IUPAC name of N-tert-butylprop-2-enamide;butyl prop-2-enoate (CID 87957377) is N-tert-butylprop-2-enamide;butyl prop-2-enoate.
What is the SMILES notation for N-tert-butylprop-2-enamide;butyl prop-2-enoate?
The canonical SMILES for N-tert-butylprop-2-enamide;butyl prop-2-enoate is C=CC(=O)NC(C)(C)C.C=CC(=O)OCCCC.
What is the InChIKey of N-tert-butylprop-2-enamide;butyl prop-2-enoate?
The InChIKey is WORIINXTNQKKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C7H12O2/c1-5-6(9)8-7(2,3)4;1-3-5-6-9-7(8)4-2/h5H,1H2,2-4H3,(H,8,9);4H,2-3,5-6H2,1H3.
What are the key properties of N-tert-butylprop-2-enamide;butyl prop-2-enoate?
N-tert-butylprop-2-enamide;butyl prop-2-enoate has a molecular weight of 255.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylprop-2-enamide;butyl prop-2-enoate is sourced from PubChem (CID 87957377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).