N-tert-butyl-2-methylprop-2-enamide;(2-methylphenyl) 2-methylprop-2-enoate

C19H27NO3 — CID 160689388

IUPACN-tert-butyl-2-methylprop-2-enamide;(2-methylphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)NC(C)(C)C.C=C(C)C(=O)Oc1ccccc1C
InChIInChI=1S/C11H12O2.C8H15NO/c1-8(2)11(12)13-10-7-5-4-6-9(10)3;1-6(2)7(10)9-8(3,4)5/h4-7H,1H2,2-3H3;1H2,2-5H3,(H,9,10)
InChIKeyRPFAMPGAUJXJOX-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.95
Rot. Bonds3

About N-tert-butyl-2-methylprop-2-enamide;(2-methylphenyl) 2-methylprop-2-enoate

N-tert-butyl-2-methylprop-2-enamide;(2-methylphenyl) 2-methylprop-2-enoate (PubChem CID 160689388) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-tert-butyl-2-methylprop-2-enamide;(2-methylphenyl) 2-methylprop-2-enoate.

Molecular Properties

Compound NameN-tert-butyl-2-methylprop-2-enamide;(2-methylphenyl) 2-methylprop-2-enoate
PubChem CID160689388
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC NameN-tert-butyl-2-methylprop-2-enamide;(2-methylphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)NC(C)(C)C.C=C(C)C(=O)Oc1ccccc1C
InChIInChI=1S/C11H12O2.C8H15NO/c1-8(2)11(12)13-10-7-5-4-6-9(10)3;1-6(2)7(10)9-8(3,4)5/h4-7H,1H2,2-3H3;1H2,2-5H3,(H,9,10)
InChIKeyRPFAMPGAUJXJOX-UHFFFAOYSA-N
XLogP3.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methylphenyl) 2-aminoprop-2-enoate
CID 174884236
(2-methylphenyl) 2-(2-methylprop-2-enoyloxy)-3-oxobutanoate
CID 69128181
[2-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 22141672
[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 162511991
(2-acetylphenyl) 2-methylprop-2-enoate
CID 19877902
(2-methylphenyl) 2-methanethioylprop-2-enoate
CID 54230018
methyl 2-(2-methylphenoxy)but-2-enoate
CID 57165556
(2-methylphenyl) 2-methoxy-3-phenylprop-2-enoate
CID 171485584
(4-anilino-2-methylphenyl) 2-methylprop-2-enoate
CID 21326582
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
1-O-ethyl 2-O-(2-methylphenyl) oxalate
CID 6422111
4-methyl-3-(2-methylprop-2-enoyloxy)benzoic acid
CID 174180010

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methylprop-2-enamide;(2-methylphenyl) 2-methylprop-2-enoate?
The IUPAC name of N-tert-butyl-2-methylprop-2-enamide;(2-methylphenyl) 2-methylprop-2-enoate (CID 160689388) is N-tert-butyl-2-methylprop-2-enamide;(2-methylphenyl) 2-methylprop-2-enoate.
What is the SMILES notation for N-tert-butyl-2-methylprop-2-enamide;(2-methylphenyl) 2-methylprop-2-enoate?
The canonical SMILES for N-tert-butyl-2-methylprop-2-enamide;(2-methylphenyl) 2-methylprop-2-enoate is C=C(C)C(=O)NC(C)(C)C.C=C(C)C(=O)Oc1ccccc1C.
What is the InChIKey of N-tert-butyl-2-methylprop-2-enamide;(2-methylphenyl) 2-methylprop-2-enoate?
The InChIKey is RPFAMPGAUJXJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2.C8H15NO/c1-8(2)11(12)13-10-7-5-4-6-9(10)3;1-6(2)7(10)9-8(3,4)5/h4-7H,1H2,2-3H3;1H2,2-5H3,(H,9,10).
What are the key properties of N-tert-butyl-2-methylprop-2-enamide;(2-methylphenyl) 2-methylprop-2-enoate?
N-tert-butyl-2-methylprop-2-enamide;(2-methylphenyl) 2-methylprop-2-enoate has a molecular weight of 317.43 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methylprop-2-enamide;(2-methylphenyl) 2-methylprop-2-enoate is sourced from PubChem (CID 160689388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).