butyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide

C14H25NO3 — CID 87343876

IUPACbutyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
SMILESC=C(C)C(=O)OCCCC.C=CC(=O)NC(C)C
InChIInChI=1S/C8H14O2.C6H11NO/c1-4-5-6-10-8(9)7(2)3;1-4-6(8)7-5(2)3/h2,4-6H2,1,3H3;4-5H,1H2,2-3H3,(H,7,8)
InChIKeySKSRXOOFNAWNDJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.60
Rot. Bonds6

About butyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide

butyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide (PubChem CID 87343876) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is butyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Namebutyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
PubChem CID87343876
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namebutyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
SMILESC=C(C)C(=O)OCCCC.C=CC(=O)NC(C)C
InChIInChI=1S/C8H14O2.C6H11NO/c1-4-5-6-10-8(9)7(2)3;1-4-6(8)7-5(2)3/h2,4-6H2,1,3H3;4-5H,1H2,2-3H3,(H,7,8)
InChIKeySKSRXOOFNAWNDJ-UHFFFAOYSA-N
XLogP2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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'}

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Related Compounds

butyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide;prop-2-enoic acid
CID 153949
poly(N-isopropylacrylamide-co-butyl methacrylate)
CID 3082631
N-tert-Butylprop-2-enimidic acid--ethyl 2-methylprop-2-enoate (1/1)
CID 6455531
3-Acetamidopropyl methacrylate
CID 15055173
1-(2-Methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate
CID 18755069
butyl prop-2-enoate;N-propan-2-ylprop-2-enamide
CID 87334080
NIPAM methyl methacrylate
CID 87918426
2-Methacrylamidopropyl methacrylate
CID 90776151
2-(dimethylamino)ethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
CID 137481221
2-hydroxyethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
CID 160992876
methyl prop-2-enoate;N-propan-2-ylprop-2-enamide
CID 161929194
oxiran-2-ylmethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
CID 172792915

Frequently Asked Questions

What is the IUPAC name of butyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide?
The IUPAC name of butyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide (CID 87343876) is butyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide.
What is the SMILES notation for butyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide?
The canonical SMILES for butyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide is C=C(C)C(=O)OCCCC.C=CC(=O)NC(C)C.
What is the InChIKey of butyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide?
The InChIKey is SKSRXOOFNAWNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C6H11NO/c1-4-5-6-10-8(9)7(2)3;1-4-6(8)7-5(2)3/h2,4-6H2,1,3H3;4-5H,1H2,2-3H3,(H,7,8).
What are the key properties of butyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide?
butyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide has a molecular weight of 255.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 87343876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).